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Ciencia y Tecnologia" border="0" onerror="if (this.src != '//a.academia-assets.com/images/s200_no_pic.png') this.src = '//a.academia-assets.com/images/s200_no_pic.png';" width="200" height="200" src="https://0.academia-photos.com/2707590/869916/114498562/s200_maderas..ciencia_y_tecnologia.png" /></a></div><div class="suggested-user-card__user-info"><a class="suggested-user-card__user-info__header ds2-5-body-sm-bold ds2-5-body-link" href="https://ubiobio.academia.edu/MaderasCienciaTecnologia">Maderas. Ciencia y Tecnologia</a><p class="suggested-user-card__user-info__subheader ds2-5-body-xs">Universidad del Bio-bio</p></div></div><div class="suggested-user-card"><div class="suggested-user-card__avatar social-profile-avatar-container"><a href="https://paruluniversity.academia.edu/shivanipandya"><img class="profile-avatar u-positionAbsolute" alt="shivani R pandya" border="0" onerror="if (this.src != '//a.academia-assets.com/images/s200_no_pic.png') this.src = '//a.academia-assets.com/images/s200_no_pic.png';" width="200" height="200" src="https://0.academia-photos.com/3444414/1993203/20762718/s200_shivani.pandya.jpg" /></a></div><div class="suggested-user-card__user-info"><a class="suggested-user-card__user-info__header ds2-5-body-sm-bold ds2-5-body-link" href="https://paruluniversity.academia.edu/shivanipandya">shivani R pandya</a><p class="suggested-user-card__user-info__subheader ds2-5-body-xs">Parul university</p></div></div></ul></div><div class="ri-section"><div class="ri-section-header"><span>Interests</span></div><div class="ri-tags-container"><a data-click-track="profile-user-info-expand-research-interests" data-has-card-for-ri-list="26655805" href="https://www.academia.edu/Documents/in/Nano_Fabrication"><div id="js-react-on-rails-context" style="display:none" data-rails-context="{"inMailer":false,"i18nLocale":"en","i18nDefaultLocale":"en","href":"https://iausdj.academia.edu/SakoMirzaie","location":"/SakoMirzaie","scheme":"https","host":"iausdj.academia.edu","port":null,"pathname":"/SakoMirzaie","search":null,"httpAcceptLanguage":null,"serverSide":false}"></div> <div class="js-react-on-rails-component" style="display:none" data-component-name="Pill" data-props="{"color":"gray","children":["Nano Fabrication"]}" data-trace="false" data-dom-id="Pill-react-component-f4de65c8-cf99-491e-b61d-6b14f9852fa7"></div> <div id="Pill-react-component-f4de65c8-cf99-491e-b61d-6b14f9852fa7"></div> </a><a data-click-track="profile-user-info-expand-research-interests" data-has-card-for-ri-list="26655805" href="https://www.academia.edu/Documents/in/Nanobiotechnology"><div class="js-react-on-rails-component" style="display:none" data-component-name="Pill" data-props="{"color":"gray","children":["Nanobiotechnology"]}" data-trace="false" data-dom-id="Pill-react-component-f0db793a-77d6-4b0c-b311-d9fbe2b80fd4"></div> <div id="Pill-react-component-f0db793a-77d6-4b0c-b311-d9fbe2b80fd4"></div> </a><a data-click-track="profile-user-info-expand-research-interests" data-has-card-for-ri-list="26655805" href="https://www.academia.edu/Documents/in/Biomaterials"><div class="js-react-on-rails-component" style="display:none" data-component-name="Pill" data-props="{"color":"gray","children":["Biomaterials"]}" data-trace="false" data-dom-id="Pill-react-component-007fbcc5-8fb4-44d2-8b65-153d107afef8"></div> <div id="Pill-react-component-007fbcc5-8fb4-44d2-8b65-153d107afef8"></div> </a><a data-click-track="profile-user-info-expand-research-interests" data-has-card-for-ri-list="26655805" href="https://www.academia.edu/Documents/in/Nanomaterials"><div class="js-react-on-rails-component" style="display:none" data-component-name="Pill" data-props="{"color":"gray","children":["Nanomaterials"]}" data-trace="false" data-dom-id="Pill-react-component-91e29c38-ec39-4545-8d6b-362b437b92c7"></div> <div id="Pill-react-component-91e29c38-ec39-4545-8d6b-362b437b92c7"></div> </a></div></div><div class="external-links-container"><ul class="profile-links new-profile js-UserInfo-social"><li class="left-most js-UserInfo-social-cv" data-broccoli-component="user-info.cv-button" data-click-track="profile-user-info-cv" data-cv-filename="CV.pdf" data-placement="top" data-toggle="tooltip" href="/SakoMirzaie/CurriculumVitae"><button class="ds2-5-text-link ds2-5-text-link--small" style="font-size: 20px; letter-spacing: 0.8px"><span class="ds2-5-text-link__content">CV</span></button></li><li class="profile-profiles js-social-profiles-container"><i class="fa fa-spin fa-spinner"></i></li></ul></div></div></div><div class="right-panel-container"><div class="user-content-wrapper"><div class="uploads-container" id="social-redesign-work-container"><div class="upload-header"><h2 class="ds2-5-heading-sans-serif-xs">Uploads</h2></div><div class="documents-container backbone-social-profile-documents" style="width: 100%;"><div class="u-taCenter"></div><div class="profile--tab_content_container js-tab-pane tab-pane active" id="all"><div class="profile--tab_heading_container js-section-heading" data-section="Papers" id="Papers"><h3 class="profile--tab_heading_container">Papers by Sako Mirzaie</h3></div><div class="js-work-strip profile--work_container" data-work-id="124684328"><div class="profile--work_thumbnail hidden-xs"><a class="js-work-strip-work-link" data-click-track="profile-work-strip-thumbnail" href="https://www.academia.edu/124684328/Discovery_of_Serine_Threonine_Protein_Kinase_4_Inhibitor_by_Molecular_Docking_and_Molecular_Dynamics_Studies_for_Treatment_of_Diabetes"><img alt="Research paper thumbnail of Discovery of Serine/Threonine-Protein Kinase 4 Inhibitor by Molecular Docking and Molecular Dynamics Studies for Treatment of Diabetes" class="work-thumbnail" src="https://attachments.academia-assets.com/118864579/thumbnails/1.jpg" /></a></div><div class="wp-workCard wp-workCard_itemContainer"><div class="wp-workCard_item wp-workCard--title"><a class="js-work-strip-work-link text-gray-darker" data-click-track="profile-work-strip-title" href="https://www.academia.edu/124684328/Discovery_of_Serine_Threonine_Protein_Kinase_4_Inhibitor_by_Molecular_Docking_and_Molecular_Dynamics_Studies_for_Treatment_of_Diabetes">Discovery of Serine/Threonine-Protein Kinase 4 Inhibitor by Molecular Docking and Molecular Dynamics Studies for Treatment of Diabetes</a></div><div class="wp-workCard_item"><span>Scientific Journal of Kurdistan University of Medical Sciences</span></div><div class="wp-workCard_item"><span class="js-work-more-abstract-truncated">Background and Aim: Nowadays, diabetes mellitus is a major challenge for human health. Serine/thr...</span><a class="js-work-more-abstract" data-broccoli-component="work_strip.more_abstract" data-click-track="profile-work-strip-more-abstract" href="javascript:;"><span> more </span><span><i class="fa fa-caret-down"></i></span></a><span class="js-work-more-abstract-untruncated hidden">Background and Aim: Nowadays, diabetes mellitus is a major challenge for human health. Serine/threonine-protein kinase 4 (STK4) is a main regulator of pancreatic β-cell death and dysfunction, and its over activation can lead to type 1 and type 2 diabetes. Deficiency of STK4 restores functional β-cells and normoglycemia. In the current study, for the first time, we used molecular modeling to discover a potent STK4 inhibitor. Materials and Methods: In this study, among 51220 molecules in ZINC database, we used the molecular docking method for virtual screening process to select the potent and effective inhibitors against STK4. We used Desmond software for molecular dynamics (MD) simulations studies of the structures with the lowest free binding energy for 100 ns. The ADME properties of the selected compounds were calculated by Qikprop software. Results: Virtual screening results showed that compounds with ZINC ID of ZINC95918625, ZINC85569233, ZINC03874317, ZINC00105086 and ZINC14819359 can be considered as STK4 inhibitors. Among these compounds, ZINC95918625 had the lowest free binding energy (-11.67 kcal/mol). After the 100 ns MD studies, ZINC95918625 interacted with STK4 residues of Lys59, Glu73, Cys105, and Gly153 via hydrogen bonding. ADME analysis exhibited that all pharmaco-kinteic parameters of ZINC95918625 were within the reasonable range. Conclusion: Our study can provide valuable information about new inhibitors for diabetes treatment. The findings of this study indicated that ZINC95918625 molecule could be used as a novel STK4 inhibitor in the future studies.</span></div><div class="wp-workCard_item wp-workCard--actions"><span class="work-strip-bookmark-button-container"></span><a id="74a9a5d644c860d2dcfd4546970e8511" class="wp-workCard--action" rel="nofollow" data-click-track="profile-work-strip-download" data-download="{"attachment_id":118864579,"asset_id":124684328,"asset_type":"Work","button_location":"profile"}" href="https://www.academia.edu/attachments/118864579/download_file?s=profile"><span><i class="fa fa-arrow-down"></i></span><span>Download</span></a><span class="wp-workCard--action visible-if-viewed-by-owner inline-block" style="display: none;"><span class="js-profile-work-strip-edit-button-wrapper profile-work-strip-edit-button-wrapper" data-work-id="124684328"><a class="js-profile-work-strip-edit-button" tabindex="0"><span><i class="fa fa-pencil"></i></span><span>Edit</span></a></span></span></div><div class="wp-workCard_item wp-workCard--stats"><span><span><span class="js-view-count view-count u-mr2x" data-work-id="124684328"><i class="fa fa-spinner fa-spin"></i></span><script>$(function () { var workId = 124684328; 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</script> <div class="js-work-strip profile--work_container" data-work-id="124684319"><div class="profile--work_thumbnail hidden-xs"><a class="js-work-strip-work-link" data-click-track="profile-work-strip-thumbnail" rel="nofollow" href="https://www.academia.edu/124684319/Covalent_Antiviral_Agents"><img alt="Research paper thumbnail of Covalent Antiviral Agents" class="work-thumbnail" src="https://a.academia-assets.com/images/blank-paper.jpg" /></a></div><div class="wp-workCard wp-workCard_itemContainer"><div class="wp-workCard_item wp-workCard--title"><a class="js-work-strip-work-link text-gray-darker" data-click-track="profile-work-strip-title" rel="nofollow" href="https://www.academia.edu/124684319/Covalent_Antiviral_Agents">Covalent Antiviral Agents</a></div><div class="wp-workCard_item"><span>Advances in experimental medicine and biology</span><span>, 2021</span></div><div class="wp-workCard_item"><span class="js-work-more-abstract-truncated">Nowadays, many viral infections have emerged and are taking a huge toll on human lives globally. ...</span><a class="js-work-more-abstract" data-broccoli-component="work_strip.more_abstract" data-click-track="profile-work-strip-more-abstract" href="javascript:;"><span> more </span><span><i class="fa fa-caret-down"></i></span></a><span class="js-work-more-abstract-untruncated hidden">Nowadays, many viral infections have emerged and are taking a huge toll on human lives globally. Meanwhile, viral resistance to current drugs has drastically increased. Hence, there is a pressing need to design potent broad-spectrum antiviral agents to treat a variety of viral infections and overcome viral resistance. Covalent inhibitors have the potential to achieve both goals owing to their biochemical efficiency, prolonged duration of action, and the capability to inhibit shallow, solvent-exposed substrate-binding domains. In this chapter, we review the structures, activities, and inhibition mechanisms of covalent inhibitors against severe acute respiratory syndrome coronavirus 2, dengue virus, enterovirus, hepatitis C virus, human immunodeficiency virus, and influenza viruses. We also discuss the application of in silico study in covalent inhibitor design.</span></div><div class="wp-workCard_item wp-workCard--actions"><span class="work-strip-bookmark-button-container"></span><span class="wp-workCard--action visible-if-viewed-by-owner inline-block" style="display: none;"><span class="js-profile-work-strip-edit-button-wrapper profile-work-strip-edit-button-wrapper" data-work-id="124684319"><a class="js-profile-work-strip-edit-button" tabindex="0"><span><i class="fa fa-pencil"></i></span><span>Edit</span></a></span></span></div><div class="wp-workCard_item wp-workCard--stats"><span><span><span class="js-view-count view-count u-mr2x" data-work-id="124684319"><i class="fa fa-spinner fa-spin"></i></span><script>$(function () { var workId = 124684319; window.Academia.workViewCountsFetcher.queue(workId, function (count) { var description = window.$h.commaizeInt(count) + " " + window.$h.pluralize(count, 'View'); $(".js-view-count[data-work-id=124684319]").text(description); $(".js-view-count[data-work-id=124684319]").attr('title', description).tooltip(); }); });</script></span></span><span><span class="percentile-widget hidden"><span class="u-mr2x work-percentile"></span></span><script>$(function () { var workId = 124684319; window.Academia.workPercentilesFetcher.queue(workId, function (percentileText) { var container = $(".js-work-strip[data-work-id='124684319']"); container.find('.work-percentile').text(percentileText.charAt(0).toUpperCase() + percentileText.slice(1)); container.find('.percentile-widget').show(); container.find('.percentile-widget').removeClass('hidden'); }); });</script></span></div><div id="work-strip-premium-row-container"></div></div></div><script> require.config({ waitSeconds: 90 })(["https://a.academia-assets.com/assets/wow_profile-a9bf3a2bc8c89fa2a77156577594264ee8a0f214d74241bc0fcd3f69f8d107ac.js","https://a.academia-assets.com/assets/work_edit-ad038b8c047c1a8d4fa01b402d530ff93c45fee2137a149a4a5398bc8ad67560.js"], function() { // from javascript_helper.rb var dispatcherData = {} if (false){ window.WowProfile.dispatcher = window.WowProfile.dispatcher || _.clone(Backbone.Events); dispatcherData = { dispatcher: window.WowProfile.dispatcher, downloadLinkId: "-1" } } $('.js-work-strip[data-work-id=124684319]').each(function() { if (!$(this).data('initialized')) { new WowProfile.WorkStripView({ el: this, workJSON: {"id":124684319,"title":"Covalent Antiviral Agents","internal_url":"https://www.academia.edu/124684319/Covalent_Antiviral_Agents","owner_id":26655805,"coauthors_can_edit":true,"owner":{"id":26655805,"first_name":"Sako","middle_initials":null,"last_name":"Mirzaie","page_name":"SakoMirzaie","domain_name":"iausdj","created_at":"2015-02-23T04:43:44.973-08:00","display_name":"Sako Mirzaie","url":"https://iausdj.academia.edu/SakoMirzaie"},"attachments":[]}, dispatcherData: dispatcherData }); $(this).data('initialized', true); } }); $a.trackClickSource(".js-work-strip-work-link", "profile_work_strip") }); </script> <div class="js-work-strip profile--work_container" data-work-id="124684316"><div class="profile--work_thumbnail hidden-xs"><a class="js-work-strip-work-link" data-click-track="profile-work-strip-thumbnail" href="https://www.academia.edu/124684316/Novel_potential_inhibitor_discovery_against_tyrosyl_tRNA_synthetase_from_Staphylococcus_aureus_by_virtual_screening_molecular_dynamics_MMPBSA_and_QMMM_simulations"><img alt="Research paper thumbnail of Novel potential inhibitor discovery against tyrosyl-tRNA synthetase from Staphylococcus aureus by virtual screening, molecular dynamics, MMPBSA and QMMM simulations" class="work-thumbnail" src="https://attachments.academia-assets.com/118864602/thumbnails/1.jpg" /></a></div><div class="wp-workCard wp-workCard_itemContainer"><div class="wp-workCard_item wp-workCard--title"><a class="js-work-strip-work-link text-gray-darker" data-click-track="profile-work-strip-title" href="https://www.academia.edu/124684316/Novel_potential_inhibitor_discovery_against_tyrosyl_tRNA_synthetase_from_Staphylococcus_aureus_by_virtual_screening_molecular_dynamics_MMPBSA_and_QMMM_simulations">Novel potential inhibitor discovery against tyrosyl-tRNA synthetase from Staphylococcus aureus by virtual screening, molecular dynamics, MMPBSA and QMMM simulations</a></div><div class="wp-workCard_item"><span>Molecular Simulation</span><span>, 2020</span></div><div class="wp-workCard_item"><span class="js-work-more-abstract-truncated">The abuse and overuse of antibiotics is the main responsible for the raising antibiotic resistanc...</span><a class="js-work-more-abstract" data-broccoli-component="work_strip.more_abstract" data-click-track="profile-work-strip-more-abstract" href="javascript:;"><span> more </span><span><i class="fa fa-caret-down"></i></span></a><span class="js-work-more-abstract-untruncated hidden">The abuse and overuse of antibiotics is the main responsible for the raising antibiotic resistance among bacteria and as a consequence the of diseases severity and treatment complications. Staphylococcus aureus (S. aureus) can cause severe bloodstream infection, endocarditis and skin infection with an annual incidence of twenty-six cases per one hundred thousand people and approximately 30% of them are lethal. Among the different and diverse resistance mechanisms, S. aureus enzyme tyrosyl-tRNA synthetase (YRS) was selected as emerging target to be employed to the state of the art computeraided drug design. At this regard, a library including the 15,387 chemicals from the Zinc database was screened by means of AutoDock Vina software. The selected hit (ZINC59675144), upon its docking binding energy and comparison with the positive control (SB284485), was subjected to molecular dynamics (MD) simulation. Following the MD, the physico-chemical parameters of the free or inhibitorbound YRS complexes were analyzed and discussed. Our molecular modelling investigation, along with QM/MM studies, suggests that ZINC59675144 has impressive properties as a potential inhibitor of YRS, and also can be utilised as lead compound for further improvements. In addition, the ADME analysis displayed that whole physicochemical characteristics are compatible for human administration.</span></div><div class="wp-workCard_item wp-workCard--actions"><span class="work-strip-bookmark-button-container"></span><a id="48bbbd5a7c4cf9ca5181a6d99b40368e" class="wp-workCard--action" rel="nofollow" data-click-track="profile-work-strip-download" data-download="{"attachment_id":118864602,"asset_id":124684316,"asset_type":"Work","button_location":"profile"}" href="https://www.academia.edu/attachments/118864602/download_file?s=profile"><span><i class="fa fa-arrow-down"></i></span><span>Download</span></a><span class="wp-workCard--action visible-if-viewed-by-owner inline-block" style="display: none;"><span class="js-profile-work-strip-edit-button-wrapper profile-work-strip-edit-button-wrapper" data-work-id="124684316"><a class="js-profile-work-strip-edit-button" tabindex="0"><span><i class="fa fa-pencil"></i></span><span>Edit</span></a></span></span></div><div class="wp-workCard_item wp-workCard--stats"><span><span><span class="js-view-count view-count u-mr2x" data-work-id="124684316"><i class="fa fa-spinner fa-spin"></i></span><script>$(function () { var workId = 124684316; window.Academia.workViewCountsFetcher.queue(workId, function (count) { var description = window.$h.commaizeInt(count) + " " + window.$h.pluralize(count, 'View'); $(".js-view-count[data-work-id=124684316]").text(description); $(".js-view-count[data-work-id=124684316]").attr('title', description).tooltip(); }); });</script></span></span><span><span class="percentile-widget hidden"><span class="u-mr2x work-percentile"></span></span><script>$(function () { var workId = 124684316; window.Academia.workPercentilesFetcher.queue(workId, function (percentileText) { var container = $(".js-work-strip[data-work-id='124684316']"); container.find('.work-percentile').text(percentileText.charAt(0).toUpperCase() + percentileText.slice(1)); container.find('.percentile-widget').show(); container.find('.percentile-widget').removeClass('hidden'); }); });</script></span></div><div id="work-strip-premium-row-container"></div></div></div><script> require.config({ waitSeconds: 90 })(["https://a.academia-assets.com/assets/wow_profile-a9bf3a2bc8c89fa2a77156577594264ee8a0f214d74241bc0fcd3f69f8d107ac.js","https://a.academia-assets.com/assets/work_edit-ad038b8c047c1a8d4fa01b402d530ff93c45fee2137a149a4a5398bc8ad67560.js"], function() { // from javascript_helper.rb var dispatcherData = {} if (true){ window.WowProfile.dispatcher = window.WowProfile.dispatcher || _.clone(Backbone.Events); dispatcherData = { dispatcher: window.WowProfile.dispatcher, downloadLinkId: "48bbbd5a7c4cf9ca5181a6d99b40368e" } } $('.js-work-strip[data-work-id=124684316]').each(function() { if (!$(this).data('initialized')) { new WowProfile.WorkStripView({ el: this, workJSON: {"id":124684316,"title":"Novel potential inhibitor discovery against tyrosyl-tRNA synthetase from Staphylococcus aureus by virtual screening, molecular dynamics, MMPBSA and QMMM simulations","internal_url":"https://www.academia.edu/124684316/Novel_potential_inhibitor_discovery_against_tyrosyl_tRNA_synthetase_from_Staphylococcus_aureus_by_virtual_screening_molecular_dynamics_MMPBSA_and_QMMM_simulations","owner_id":26655805,"coauthors_can_edit":true,"owner":{"id":26655805,"first_name":"Sako","middle_initials":null,"last_name":"Mirzaie","page_name":"SakoMirzaie","domain_name":"iausdj","created_at":"2015-02-23T04:43:44.973-08:00","display_name":"Sako Mirzaie","url":"https://iausdj.academia.edu/SakoMirzaie"},"attachments":[{"id":118864602,"title":"","file_type":"pdf","scribd_thumbnail_url":"https://attachments.academia-assets.com/118864602/thumbnails/1.jpg","file_name":"08927022.2020.172691120241013-1-j8irn4.pdf","download_url":"https://www.academia.edu/attachments/118864602/download_file","bulk_download_file_name":"Novel_potential_inhibitor_discovery_agai.pdf","bulk_download_url":"https://d1wqtxts1xzle7.cloudfront.net/118864602/08927022.2020.172691120241013-1-j8irn4-libre.pdf?1728835715=\u0026response-content-disposition=attachment%3B+filename%3DNovel_potential_inhibitor_discovery_agai.pdf\u0026Expires=1740231315\u0026Signature=LoyqpJ-WWC9700cMt~wBFGVIsWJhMTv-8b8QZ36TrbPps0iaVuRE8V7DYpEm9Eht1a~cJ2FAqHSZRZaB2mj5OUDwA3w~ZpA8GOQIyqyxl77~iQGTkZ6s8mF7CVxrY-NfmyZZUmJFwYcZyohmf56ymOBL1YkaE2L-u4fyPw6-CUaEZ4uiteg-bkM-9Kx7-D~ry2CMFt5TcvCOypUQBtP210jStGg8jC-UGt~K9aaEMEIWCmv5-mLmy5SD4ZrujIRmPm9nd7KPfECRMFqGHpGYCQj2UWs2Fff5-xTozMaubOT8PjHZM4uplKerXkBibXdKqOSIZ~QBAdRBg1xAelcT5Q__\u0026Key-Pair-Id=APKAJLOHF5GGSLRBV4ZA"}]}, dispatcherData: dispatcherData }); $(this).data('initialized', true); } }); $a.trackClickSource(".js-work-strip-work-link", "profile_work_strip") }); </script> <div class="js-work-strip profile--work_container" data-work-id="124684313"><div class="profile--work_thumbnail hidden-xs"><a class="js-work-strip-work-link" data-click-track="profile-work-strip-thumbnail" href="https://www.academia.edu/124684313/Designing_new_generation_of_potent_inhibitors_against_membrane_type_matrix_metalloproteinase_2_a_computational_effort_against_multiple_myeloma"><img alt="Research paper thumbnail of Designing new generation of potent inhibitors against membrane-type matrix metalloproteinase-2: a computational effort against multiple myeloma" class="work-thumbnail" src="https://attachments.academia-assets.com/118864599/thumbnails/1.jpg" /></a></div><div class="wp-workCard wp-workCard_itemContainer"><div class="wp-workCard_item wp-workCard--title"><a class="js-work-strip-work-link text-gray-darker" data-click-track="profile-work-strip-title" href="https://www.academia.edu/124684313/Designing_new_generation_of_potent_inhibitors_against_membrane_type_matrix_metalloproteinase_2_a_computational_effort_against_multiple_myeloma">Designing new generation of potent inhibitors against membrane-type matrix metalloproteinase-2: a computational effort against multiple myeloma</a></div><div class="wp-workCard_item"><span>Journal of Biomolecular Structure and Dynamics</span><span>, 2019</span></div><div class="wp-workCard_item"><span class="js-work-more-abstract-truncated">Matrix metalloproteinases (MMPs) play important roles in cancer progression and, despite their in...</span><a class="js-work-more-abstract" data-broccoli-component="work_strip.more_abstract" data-click-track="profile-work-strip-more-abstract" href="javascript:;"><span> more </span><span><i class="fa fa-caret-down"></i></span></a><span class="js-work-more-abstract-untruncated hidden">Matrix metalloproteinases (MMPs) play important roles in cancer progression and, despite their inhibitors have failed in the clinical trials, they have always been considered as suitable targets for the treatment of tumor. We have recently shown that membrane type (MT) 2-MMPs, is selectively expressed in multiple myeloma (MM) cells and mediates the metastatic characteristics of these cells. In this study, we designed efficient inhibitors against MT2-MMP using state-of-art molecular modeling methods. First, the 3D structure of MT2-MMP was predicted. Then the proposed potent inhibitors against two regions of the catalytic domain of MT2-MMP (active site and MT-LOOP) were identified through molecular docking, QM-MM, and molecular dynamics simulations from a set of compounds in Analyticon library, IBS library, Maybridge screening fragment library, and drugbank library. Moreover, ADME estimation showed that pharmacokinetic properties of inhibitors are in the acceptable range for humans. Finally, our data suggested that compounds "structures.722" (dobutamine) and "M2" are suitable candidates to inhibit MT2-MMP for further examination in the laboratory.</span></div><div class="wp-workCard_item wp-workCard--actions"><span class="work-strip-bookmark-button-container"></span><a id="c2a8153d8a1815b558bc90e9d85b10bf" class="wp-workCard--action" rel="nofollow" data-click-track="profile-work-strip-download" data-download="{"attachment_id":118864599,"asset_id":124684313,"asset_type":"Work","button_location":"profile"}" href="https://www.academia.edu/attachments/118864599/download_file?s=profile"><span><i class="fa fa-arrow-down"></i></span><span>Download</span></a><span class="wp-workCard--action visible-if-viewed-by-owner inline-block" style="display: none;"><span class="js-profile-work-strip-edit-button-wrapper profile-work-strip-edit-button-wrapper" data-work-id="124684313"><a class="js-profile-work-strip-edit-button" tabindex="0"><span><i class="fa fa-pencil"></i></span><span>Edit</span></a></span></span></div><div class="wp-workCard_item wp-workCard--stats"><span><span><span class="js-view-count view-count u-mr2x" data-work-id="124684313"><i class="fa fa-spinner fa-spin"></i></span><script>$(function () { var workId = 124684313; window.Academia.workViewCountsFetcher.queue(workId, function (count) { var description = window.$h.commaizeInt(count) + " " + window.$h.pluralize(count, 'View'); $(".js-view-count[data-work-id=124684313]").text(description); $(".js-view-count[data-work-id=124684313]").attr('title', description).tooltip(); }); });</script></span></span><span><span class="percentile-widget hidden"><span class="u-mr2x work-percentile"></span></span><script>$(function () { var workId = 124684313; window.Academia.workPercentilesFetcher.queue(workId, function (percentileText) { var container = $(".js-work-strip[data-work-id='124684313']"); container.find('.work-percentile').text(percentileText.charAt(0).toUpperCase() + percentileText.slice(1)); container.find('.percentile-widget').show(); container.find('.percentile-widget').removeClass('hidden'); }); });</script></span></div><div id="work-strip-premium-row-container"></div></div></div><script> require.config({ waitSeconds: 90 })(["https://a.academia-assets.com/assets/wow_profile-a9bf3a2bc8c89fa2a77156577594264ee8a0f214d74241bc0fcd3f69f8d107ac.js","https://a.academia-assets.com/assets/work_edit-ad038b8c047c1a8d4fa01b402d530ff93c45fee2137a149a4a5398bc8ad67560.js"], function() { // from javascript_helper.rb var dispatcherData = {} if (true){ window.WowProfile.dispatcher = window.WowProfile.dispatcher || _.clone(Backbone.Events); dispatcherData = { dispatcher: window.WowProfile.dispatcher, downloadLinkId: "c2a8153d8a1815b558bc90e9d85b10bf" } } $('.js-work-strip[data-work-id=124684313]').each(function() { if (!$(this).data('initialized')) { new WowProfile.WorkStripView({ el: this, workJSON: {"id":124684313,"title":"Designing new generation of potent inhibitors against membrane-type matrix metalloproteinase-2: a computational effort against multiple myeloma","internal_url":"https://www.academia.edu/124684313/Designing_new_generation_of_potent_inhibitors_against_membrane_type_matrix_metalloproteinase_2_a_computational_effort_against_multiple_myeloma","owner_id":26655805,"coauthors_can_edit":true,"owner":{"id":26655805,"first_name":"Sako","middle_initials":null,"last_name":"Mirzaie","page_name":"SakoMirzaie","domain_name":"iausdj","created_at":"2015-02-23T04:43:44.973-08:00","display_name":"Sako Mirzaie","url":"https://iausdj.academia.edu/SakoMirzaie"},"attachments":[{"id":118864599,"title":"","file_type":"pdf","scribd_thumbnail_url":"https://attachments.academia-assets.com/118864599/thumbnails/1.jpg","file_name":"07391102.2019.167073620241013-1-xim2ib.pdf","download_url":"https://www.academia.edu/attachments/118864599/download_file","bulk_download_file_name":"Designing_new_generation_of_potent_inhib.pdf","bulk_download_url":"https://d1wqtxts1xzle7.cloudfront.net/118864599/07391102.2019.167073620241013-1-xim2ib-libre.pdf?1728835715=\u0026response-content-disposition=attachment%3B+filename%3DDesigning_new_generation_of_potent_inhib.pdf\u0026Expires=1740231315\u0026Signature=KX7eSirEeadSrsECcWwBnpne6XUZrVQQw1nATeAfhNJk6vyTAio6DIXNKpCcKr7s6~3eVnYZu28eRvGadh3QulutlKaMDnf9BEkxUCbTXEPC5idG1zN4VcEb1Y2JwphJV7v8Eyutc-a7b59tzLxHK2n0gEeEG7AFN5UHv1KYttmqAR5aXc6ZNHl5uZRaOvT2sRnT6HaoQk2fZsb1Vs1WHlD6Lnw8FgN5iPznClxuxioDh2sELJNZa8~Pb4kFtw9UWdJi9u96B3Hc~ehBzGqvZJZTEtW-pFrzwfWw7rwAyd0GxVP-6b-ErEeVo6hyJx9gsyFrAG1boOpT4~M7sgH40Q__\u0026Key-Pair-Id=APKAJLOHF5GGSLRBV4ZA"}]}, dispatcherData: dispatcherData }); $(this).data('initialized', true); } }); $a.trackClickSource(".js-work-strip-work-link", "profile_work_strip") }); </script> <div class="js-work-strip profile--work_container" data-work-id="124684312"><div class="profile--work_thumbnail hidden-xs"><a class="js-work-strip-work-link" data-click-track="profile-work-strip-thumbnail" href="https://www.academia.edu/124684312/Vitamin_D_as_a_modulating_agent_of_metformin_and_insulin_in_patients_with_type_2_diabetes"><img alt="Research paper thumbnail of Vitamin D as a modulating agent of metformin and insulin in patients with type 2 diabetes" class="work-thumbnail" src="https://attachments.academia-assets.com/118864598/thumbnails/1.jpg" /></a></div><div class="wp-workCard wp-workCard_itemContainer"><div class="wp-workCard_item wp-workCard--title"><a class="js-work-strip-work-link text-gray-darker" data-click-track="profile-work-strip-title" href="https://www.academia.edu/124684312/Vitamin_D_as_a_modulating_agent_of_metformin_and_insulin_in_patients_with_type_2_diabetes">Vitamin D as a modulating agent of metformin and insulin in patients with type 2 diabetes</a></div><div class="wp-workCard_item"><span>Journal of Research in Pharmacy</span><span>, 2019</span></div><div class="wp-workCard_item"><span class="js-work-more-abstract-truncated">Diabetes, which is one of the most important health challenges for humankind, is associated with ...</span><a class="js-work-more-abstract" data-broccoli-component="work_strip.more_abstract" data-click-track="profile-work-strip-more-abstract" href="javascript:;"><span> more </span><span><i class="fa fa-caret-down"></i></span></a><span class="js-work-more-abstract-untruncated hidden">Diabetes, which is one of the most important health challenges for humankind, is associated with impaired glucose metabolism. Diabetes mellitus (DM) includes two major types of diabetes, type 1 (T1DM) and type 2 (T2DM). In this study, in the beginning, interventional and experimental studies were performed on 45 patients with T2DM, and the modulating effects of vitamin D were evaluated on the biochemical parameters of patients with the restricted diet, consuming metformin or insulin. With regard to our experimental results, the combination treatment of metformin/ vitamin D or insulin/ vitamin D can reduce the fasting blood sugar (FBS). A combination of vitamin D with insulin decreases the insulin resistance and raises the insulin sensitivity in patients with T2DM. The combination treatment of vitamin D and metformin led to a decrease in the level of mRNA of GLUT4, and also it's trafficking from the cytosol to the plasma membrane. At the second phase of the present study, molecular dynamics (MD), molecular docking, MM/PBSA, and QM/MM were occupied to examine the structural behavior of VDR, in the free or ligand bound state, during 50 ns. The MD results exhibited that in the presence of metformin, the flexibility of residues comprising helix 12 from vitamin D-bound VDR was decreased. In addition, metformin decreased the radius of gyration of agonist-bound VDR. In addition, QM/MM results showed that metformin diminished the binding free energy between VDR and vitamin D. Our computational data demonstrated that metformin, in the presence of vitamin D, reinforces the interaction between VDR and its co-activator protein.</span></div><div class="wp-workCard_item wp-workCard--actions"><span class="work-strip-bookmark-button-container"></span><a id="5b1f9212fa5999c0837c2770a19385c2" class="wp-workCard--action" rel="nofollow" data-click-track="profile-work-strip-download" data-download="{"attachment_id":118864598,"asset_id":124684312,"asset_type":"Work","button_location":"profile"}" href="https://www.academia.edu/attachments/118864598/download_file?s=profile"><span><i class="fa fa-arrow-down"></i></span><span>Download</span></a><span class="wp-workCard--action visible-if-viewed-by-owner inline-block" style="display: none;"><span class="js-profile-work-strip-edit-button-wrapper profile-work-strip-edit-button-wrapper" data-work-id="124684312"><a class="js-profile-work-strip-edit-button" tabindex="0"><span><i class="fa fa-pencil"></i></span><span>Edit</span></a></span></span></div><div class="wp-workCard_item wp-workCard--stats"><span><span><span class="js-view-count view-count u-mr2x" data-work-id="124684312"><i class="fa fa-spinner fa-spin"></i></span><script>$(function () { var workId = 124684312; window.Academia.workViewCountsFetcher.queue(workId, function (count) { var description = window.$h.commaizeInt(count) + " " + window.$h.pluralize(count, 'View'); $(".js-view-count[data-work-id=124684312]").text(description); $(".js-view-count[data-work-id=124684312]").attr('title', description).tooltip(); }); });</script></span></span><span><span class="percentile-widget hidden"><span class="u-mr2x work-percentile"></span></span><script>$(function () { var workId = 124684312; window.Academia.workPercentilesFetcher.queue(workId, function (percentileText) { var container = $(".js-work-strip[data-work-id='124684312']"); container.find('.work-percentile').text(percentileText.charAt(0).toUpperCase() + percentileText.slice(1)); container.find('.percentile-widget').show(); container.find('.percentile-widget').removeClass('hidden'); }); });</script></span></div><div id="work-strip-premium-row-container"></div></div></div><script> require.config({ waitSeconds: 90 })(["https://a.academia-assets.com/assets/wow_profile-a9bf3a2bc8c89fa2a77156577594264ee8a0f214d74241bc0fcd3f69f8d107ac.js","https://a.academia-assets.com/assets/work_edit-ad038b8c047c1a8d4fa01b402d530ff93c45fee2137a149a4a5398bc8ad67560.js"], function() { // from javascript_helper.rb var dispatcherData = {} if (true){ window.WowProfile.dispatcher = window.WowProfile.dispatcher || _.clone(Backbone.Events); dispatcherData = { dispatcher: window.WowProfile.dispatcher, downloadLinkId: "5b1f9212fa5999c0837c2770a19385c2" } } $('.js-work-strip[data-work-id=124684312]').each(function() { if (!$(this).data('initialized')) { new WowProfile.WorkStripView({ el: this, workJSON: {"id":124684312,"title":"Vitamin D as a modulating agent of metformin and insulin in patients with type 2 diabetes","internal_url":"https://www.academia.edu/124684312/Vitamin_D_as_a_modulating_agent_of_metformin_and_insulin_in_patients_with_type_2_diabetes","owner_id":26655805,"coauthors_can_edit":true,"owner":{"id":26655805,"first_name":"Sako","middle_initials":null,"last_name":"Mirzaie","page_name":"SakoMirzaie","domain_name":"iausdj","created_at":"2015-02-23T04:43:44.973-08:00","display_name":"Sako Mirzaie","url":"https://iausdj.academia.edu/SakoMirzaie"},"attachments":[{"id":118864598,"title":"","file_type":"pdf","scribd_thumbnail_url":"https://attachments.academia-assets.com/118864598/thumbnails/1.jpg","file_name":"pdf.pdf","download_url":"https://www.academia.edu/attachments/118864598/download_file","bulk_download_file_name":"Vitamin_D_as_a_modulating_agent_of_metfo.pdf","bulk_download_url":"https://d1wqtxts1xzle7.cloudfront.net/118864598/pdf-libre.pdf?1728835705=\u0026response-content-disposition=attachment%3B+filename%3DVitamin_D_as_a_modulating_agent_of_metfo.pdf\u0026Expires=1740231315\u0026Signature=X93yK7kILTozNzleFXmhntVbavGnzrSslPUrqt26MY8En1QQ-6OsywsFRJf4nrHp4O~vHIcAXPjBp5aWzZflSWTxtuWcFHKIl01BJcE5HNs-6amVL~AhudYLvMzbstFGgAzYvEkm15LopSr~7RvOP3YMqLoYijxuRQImAg2i30C9bVZcYCcPexhVaORyTn7GaXbc6E1r5KB1aKJpqPSIT3f8FiUNe~xL0WJf4bvW7lb2NbUwzxaKk0ei4QXL19rlEVnEFpvumeZ~ZODLfVj5uW8OY~ZVu3TIO-OxhtWeed1eAagp8YVjKeWvufmzjenhYKHMpnf-yWIQwOgHqytj-Q__\u0026Key-Pair-Id=APKAJLOHF5GGSLRBV4ZA"}]}, dispatcherData: dispatcherData }); $(this).data('initialized', true); } }); $a.trackClickSource(".js-work-strip-work-link", "profile_work_strip") }); </script> <div class="js-work-strip profile--work_container" data-work-id="124684311"><div class="profile--work_thumbnail hidden-xs"><a class="js-work-strip-work-link" data-click-track="profile-work-strip-thumbnail" href="https://www.academia.edu/124684311/Selective_reduction_in_glutaminase_activity_of_l_Asparaginase_by_asparagine_248_to_serine_mutation_A_combined_computational_and_experimental_effort_in_blood_cancer_treatment"><img alt="Research paper thumbnail of Selective reduction in glutaminase activity of l‑Asparaginase by asparagine 248 to serine mutation: A combined computational and experimental effort in blood cancer treatment" class="work-thumbnail" src="https://attachments.academia-assets.com/118864596/thumbnails/1.jpg" /></a></div><div class="wp-workCard wp-workCard_itemContainer"><div class="wp-workCard_item wp-workCard--title"><a class="js-work-strip-work-link text-gray-darker" data-click-track="profile-work-strip-title" href="https://www.academia.edu/124684311/Selective_reduction_in_glutaminase_activity_of_l_Asparaginase_by_asparagine_248_to_serine_mutation_A_combined_computational_and_experimental_effort_in_blood_cancer_treatment">Selective reduction in glutaminase activity of l‑Asparaginase by asparagine 248 to serine mutation: A combined computational and experimental effort in blood cancer treatment</a></div><div class="wp-workCard_item"><span>International Journal of Biological Macromolecules</span><span>, 2018</span></div><div class="wp-workCard_item"><span class="js-work-more-abstract-truncated">Type II L-asparaginase (L-ASNase) is an FDA approved enzyme drug with extensive applications for ...</span><a class="js-work-more-abstract" data-broccoli-component="work_strip.more_abstract" data-click-track="profile-work-strip-more-abstract" href="javascript:;"><span> more </span><span><i class="fa fa-caret-down"></i></span></a><span class="js-work-more-abstract-untruncated hidden">Type II L-asparaginase (L-ASNase) is an FDA approved enzyme drug with extensive applications for treatment of certain blood cancers. However, the therapeutic efficiency of this enzyme is hampered by its undesirable glutaminase activity. Given the pivotal role of this enzyme against cancer, designing engineered mutants with diminished glutaminase activity would be of great therapeutic interest. To this end, N248S mutation was selected as the potential mutation with beneficial effects. Various in silico analyses including MD simulation, molecular docking and QMMM studies were performed to assess the effects of N248S mutation on the activity of the enzyme. Thereafter, this mutation along with N248A, N248V and N248T mutations as controls were exerted in L-ASNase gene. The results from in silico analyses and experimental efforts indicated that N248S mutation is associated with the suitable L-ASNase activity, while the glutaminase activity is disturbed due to impaired interactions. It has been shown that glutamine turnover was affected much more strongly than asparagine hydrolysis. The approach of exploiting in silico tools to design mutated enzymes lead to staggering time and cost reduction. Following this strategy, we have designed a mutant L-ASNase with diminished glutaminase activity, which could be of interest for improved biomedical applications.</span></div><div class="wp-workCard_item wp-workCard--actions"><span class="work-strip-bookmark-button-container"></span><a id="3f5eac8a1b13a9cf0f1e07cd8b49189c" class="wp-workCard--action" rel="nofollow" data-click-track="profile-work-strip-download" data-download="{"attachment_id":118864596,"asset_id":124684311,"asset_type":"Work","button_location":"profile"}" href="https://www.academia.edu/attachments/118864596/download_file?s=profile"><span><i class="fa fa-arrow-down"></i></span><span>Download</span></a><span class="wp-workCard--action visible-if-viewed-by-owner inline-block" style="display: none;"><span class="js-profile-work-strip-edit-button-wrapper profile-work-strip-edit-button-wrapper" data-work-id="124684311"><a class="js-profile-work-strip-edit-button" tabindex="0"><span><i class="fa fa-pencil"></i></span><span>Edit</span></a></span></span></div><div class="wp-workCard_item wp-workCard--stats"><span><span><span class="js-view-count view-count u-mr2x" data-work-id="124684311"><i class="fa fa-spinner fa-spin"></i></span><script>$(function () { var workId = 124684311; window.Academia.workViewCountsFetcher.queue(workId, function (count) { var description = window.$h.commaizeInt(count) + " " + window.$h.pluralize(count, 'View'); $(".js-view-count[data-work-id=124684311]").text(description); $(".js-view-count[data-work-id=124684311]").attr('title', description).tooltip(); }); });</script></span></span><span><span class="percentile-widget hidden"><span class="u-mr2x work-percentile"></span></span><script>$(function () { var workId = 124684311; window.Academia.workPercentilesFetcher.queue(workId, function (percentileText) { var container = $(".js-work-strip[data-work-id='124684311']"); container.find('.work-percentile').text(percentileText.charAt(0).toUpperCase() + percentileText.slice(1)); container.find('.percentile-widget').show(); container.find('.percentile-widget').removeClass('hidden'); }); });</script></span></div><div id="work-strip-premium-row-container"></div></div></div><script> require.config({ waitSeconds: 90 })(["https://a.academia-assets.com/assets/wow_profile-a9bf3a2bc8c89fa2a77156577594264ee8a0f214d74241bc0fcd3f69f8d107ac.js","https://a.academia-assets.com/assets/work_edit-ad038b8c047c1a8d4fa01b402d530ff93c45fee2137a149a4a5398bc8ad67560.js"], function() { // from javascript_helper.rb var dispatcherData = {} if (true){ window.WowProfile.dispatcher = window.WowProfile.dispatcher || _.clone(Backbone.Events); dispatcherData = { dispatcher: window.WowProfile.dispatcher, downloadLinkId: "3f5eac8a1b13a9cf0f1e07cd8b49189c" } } $('.js-work-strip[data-work-id=124684311]').each(function() { if (!$(this).data('initialized')) { new WowProfile.WorkStripView({ el: this, workJSON: {"id":124684311,"title":"Selective reduction in glutaminase activity of l‑Asparaginase by asparagine 248 to serine mutation: A combined computational and experimental effort in blood cancer treatment","internal_url":"https://www.academia.edu/124684311/Selective_reduction_in_glutaminase_activity_of_l_Asparaginase_by_asparagine_248_to_serine_mutation_A_combined_computational_and_experimental_effort_in_blood_cancer_treatment","owner_id":26655805,"coauthors_can_edit":true,"owner":{"id":26655805,"first_name":"Sako","middle_initials":null,"last_name":"Mirzaie","page_name":"SakoMirzaie","domain_name":"iausdj","created_at":"2015-02-23T04:43:44.973-08:00","display_name":"Sako Mirzaie","url":"https://iausdj.academia.edu/SakoMirzaie"},"attachments":[{"id":118864596,"title":"","file_type":"pdf","scribd_thumbnail_url":"https://attachments.academia-assets.com/118864596/thumbnails/1.jpg","file_name":"j.ijbiomac.2018.09.01520241013-1-ytjpuo.pdf","download_url":"https://www.academia.edu/attachments/118864596/download_file","bulk_download_file_name":"Selective_reduction_in_glutaminase_activ.pdf","bulk_download_url":"https://d1wqtxts1xzle7.cloudfront.net/118864596/j.ijbiomac.2018.09.01520241013-1-ytjpuo-libre.pdf?1728835701=\u0026response-content-disposition=attachment%3B+filename%3DSelective_reduction_in_glutaminase_activ.pdf\u0026Expires=1740231315\u0026Signature=RUUSmIpz4FI6xOLdoxUYmySMi5TWwRq7hFADUqmYaDVKQhZC-jozVkAFpF~RdZpTZtSeuJ4944ieHZWo7pdGQeJrHuwzM7eCKmpVHzI0dRRQOUmEHtsKJFNJsM6boXhJE7bc~-00Yvd2EtpbS~PDPSOEgpg7An6Os0mNnOEUfIlEHrCmxQgUeT8jY2d530CF844PSHi~wtRdzh1GgRXbcH~QoH3LNYDqQ9cNeynLyHkmIH-DqdXmVuFFO4PV3WGmgO-28e2qIxrExUglS7LdPll6QzXYGXBQw1bZGmKtsYwmtE8APcktpdH-vyqiVxUEQDTf0sVfINYB2DIxVEL~ZQ__\u0026Key-Pair-Id=APKAJLOHF5GGSLRBV4ZA"}]}, dispatcherData: dispatcherData }); $(this).data('initialized', true); } }); $a.trackClickSource(".js-work-strip-work-link", "profile_work_strip") }); </script> <div class="js-work-strip profile--work_container" data-work-id="124684310"><div class="profile--work_thumbnail hidden-xs"><a class="js-work-strip-work-link" data-click-track="profile-work-strip-thumbnail" href="https://www.academia.edu/124684310/Design_synthesis_and_biological_profile_of_mixed_opioid_agonist_N_VGCC_blocker_peptides"><img alt="Research paper thumbnail of Design, synthesis and biological profile of mixed opioid agonist/N-VGCC blocker peptides" class="work-thumbnail" src="https://attachments.academia-assets.com/118864597/thumbnails/1.jpg" /></a></div><div class="wp-workCard wp-workCard_itemContainer"><div class="wp-workCard_item wp-workCard--title"><a class="js-work-strip-work-link text-gray-darker" data-click-track="profile-work-strip-title" href="https://www.academia.edu/124684310/Design_synthesis_and_biological_profile_of_mixed_opioid_agonist_N_VGCC_blocker_peptides">Design, synthesis and biological profile of mixed opioid agonist/N-VGCC blocker peptides</a></div><div class="wp-workCard_item"><span>New Journal of Chemistry</span><span>, 2018</span></div><div class="wp-workCard_item"><span class="js-work-more-abstract-truncated">Novel mixed opioid agonist/N-VGCC blocker peptides, design, synthesis and biological profile.</span></div><div class="wp-workCard_item wp-workCard--actions"><span class="work-strip-bookmark-button-container"></span><a id="3a79bd70b159d95ab8cc1411b7536aba" class="wp-workCard--action" rel="nofollow" data-click-track="profile-work-strip-download" data-download="{"attachment_id":118864597,"asset_id":124684310,"asset_type":"Work","button_location":"profile"}" href="https://www.academia.edu/attachments/118864597/download_file?s=profile"><span><i class="fa fa-arrow-down"></i></span><span>Download</span></a><span class="wp-workCard--action visible-if-viewed-by-owner inline-block" style="display: none;"><span class="js-profile-work-strip-edit-button-wrapper profile-work-strip-edit-button-wrapper" data-work-id="124684310"><a class="js-profile-work-strip-edit-button" tabindex="0"><span><i class="fa fa-pencil"></i></span><span>Edit</span></a></span></span></div><div class="wp-workCard_item wp-workCard--stats"><span><span><span class="js-view-count view-count u-mr2x" data-work-id="124684310"><i class="fa fa-spinner fa-spin"></i></span><script>$(function () { var workId = 124684310; 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dispatcherData = { dispatcher: window.WowProfile.dispatcher, downloadLinkId: "3a79bd70b159d95ab8cc1411b7536aba" } } $('.js-work-strip[data-work-id=124684310]').each(function() { if (!$(this).data('initialized')) { new WowProfile.WorkStripView({ el: this, workJSON: {"id":124684310,"title":"Design, synthesis and biological profile of mixed opioid agonist/N-VGCC blocker peptides","internal_url":"https://www.academia.edu/124684310/Design_synthesis_and_biological_profile_of_mixed_opioid_agonist_N_VGCC_blocker_peptides","owner_id":26655805,"coauthors_can_edit":true,"owner":{"id":26655805,"first_name":"Sako","middle_initials":null,"last_name":"Mirzaie","page_name":"SakoMirzaie","domain_name":"iausdj","created_at":"2015-02-23T04:43:44.973-08:00","display_name":"Sako Mirzaie","url":"https://iausdj.academia.edu/SakoMirzaie"},"attachments":[{"id":118864597,"title":"","file_type":"pdf","scribd_thumbnail_url":"https://attachments.academia-assets.com/118864597/thumbnails/1.jpg","file_name":"bb84fbe01cfa0f10f2c9e330ed9ee7966efd.pdf","download_url":"https://www.academia.edu/attachments/118864597/download_file","bulk_download_file_name":"Design_synthesis_and_biological_profile.pdf","bulk_download_url":"https://d1wqtxts1xzle7.cloudfront.net/118864597/bb84fbe01cfa0f10f2c9e330ed9ee7966efd-libre.pdf?1728835694=\u0026response-content-disposition=attachment%3B+filename%3DDesign_synthesis_and_biological_profile.pdf\u0026Expires=1740231315\u0026Signature=Dnaz8MVCT2NngUrg-nP7I-FrIO0UMVumVWkLmwW4gGn-2yKPLKw~b3DWAPOpNEwtxK0-gGzWEQ55ogpTWa0JGNQQF8QRMN7mx7KupLHgz8VzhA9L2sJ6F~yBlXdRAHovSr49TddWPzP7UxGQ2K8kH3GEmy4fWxvhsKhDUOnG3rMfpZ3R3BNylQmFQ77E7hLygpc0AxBiN86~pREDtcAOEWXn5f7rooL4jKGlI83ZoeQ02Eek0ITgfvRP8x7iS16sbER7AnQ~eKx7kaGliqdqiwLYLK~j~eM47XrSipScEom4T9bbGcemlLe~jRmfh3dCVBg7zhHRxpoWwWpAkiWnOA__\u0026Key-Pair-Id=APKAJLOHF5GGSLRBV4ZA"}]}, dispatcherData: dispatcherData }); $(this).data('initialized', true); } }); $a.trackClickSource(".js-work-strip-work-link", "profile_work_strip") }); </script> <div class="js-work-strip profile--work_container" data-work-id="124684309"><div class="profile--work_thumbnail hidden-xs"><a class="js-work-strip-work-link" data-click-track="profile-work-strip-thumbnail" rel="nofollow" href="https://www.academia.edu/124684309/Discovery_of_novel_amide_tripeptides_as_pancreatic_lipase_inhibitors_by_virtual_screening"><img alt="Research paper thumbnail of Discovery of novel amide tripeptides as pancreatic lipase inhibitors by virtual screening" class="work-thumbnail" src="https://a.academia-assets.com/images/blank-paper.jpg" /></a></div><div class="wp-workCard wp-workCard_itemContainer"><div class="wp-workCard_item wp-workCard--title"><a class="js-work-strip-work-link text-gray-darker" data-click-track="profile-work-strip-title" rel="nofollow" href="https://www.academia.edu/124684309/Discovery_of_novel_amide_tripeptides_as_pancreatic_lipase_inhibitors_by_virtual_screening">Discovery of novel amide tripeptides as pancreatic lipase inhibitors by virtual screening</a></div><div class="wp-workCard_item"><span>New Journal of Chemistry</span><span>, 2019</span></div><div class="wp-workCard_item"><span class="js-work-more-abstract-truncated">A virtual screening workflow for the discovery of pancreatic lipase inhibitors.</span></div><div class="wp-workCard_item wp-workCard--actions"><span class="work-strip-bookmark-button-container"></span><span class="wp-workCard--action visible-if-viewed-by-owner inline-block" style="display: none;"><span class="js-profile-work-strip-edit-button-wrapper profile-work-strip-edit-button-wrapper" data-work-id="124684309"><a class="js-profile-work-strip-edit-button" tabindex="0"><span><i class="fa fa-pencil"></i></span><span>Edit</span></a></span></span></div><div class="wp-workCard_item wp-workCard--stats"><span><span><span class="js-view-count view-count u-mr2x" data-work-id="124684309"><i class="fa fa-spinner fa-spin"></i></span><script>$(function () { var workId = 124684309; window.Academia.workViewCountsFetcher.queue(workId, function (count) { var description = window.$h.commaizeInt(count) + " " + window.$h.pluralize(count, 'View'); $(".js-view-count[data-work-id=124684309]").text(description); $(".js-view-count[data-work-id=124684309]").attr('title', description).tooltip(); }); });</script></span></span><span><span class="percentile-widget hidden"><span class="u-mr2x work-percentile"></span></span><script>$(function () { var workId = 124684309; window.Academia.workPercentilesFetcher.queue(workId, function (percentileText) { var container = $(".js-work-strip[data-work-id='124684309']"); container.find('.work-percentile').text(percentileText.charAt(0).toUpperCase() + percentileText.slice(1)); container.find('.percentile-widget').show(); container.find('.percentile-widget').removeClass('hidden'); }); });</script></span></div><div id="work-strip-premium-row-container"></div></div></div><script> require.config({ waitSeconds: 90 })(["https://a.academia-assets.com/assets/wow_profile-a9bf3a2bc8c89fa2a77156577594264ee8a0f214d74241bc0fcd3f69f8d107ac.js","https://a.academia-assets.com/assets/work_edit-ad038b8c047c1a8d4fa01b402d530ff93c45fee2137a149a4a5398bc8ad67560.js"], function() { // from javascript_helper.rb var dispatcherData = {} if (false){ window.WowProfile.dispatcher = window.WowProfile.dispatcher || _.clone(Backbone.Events); dispatcherData = { dispatcher: window.WowProfile.dispatcher, downloadLinkId: "-1" } } $('.js-work-strip[data-work-id=124684309]').each(function() { if (!$(this).data('initialized')) { new WowProfile.WorkStripView({ el: this, workJSON: {"id":124684309,"title":"Discovery of novel amide tripeptides as pancreatic lipase inhibitors by virtual screening","internal_url":"https://www.academia.edu/124684309/Discovery_of_novel_amide_tripeptides_as_pancreatic_lipase_inhibitors_by_virtual_screening","owner_id":26655805,"coauthors_can_edit":true,"owner":{"id":26655805,"first_name":"Sako","middle_initials":null,"last_name":"Mirzaie","page_name":"SakoMirzaie","domain_name":"iausdj","created_at":"2015-02-23T04:43:44.973-08:00","display_name":"Sako Mirzaie","url":"https://iausdj.academia.edu/SakoMirzaie"},"attachments":[]}, dispatcherData: dispatcherData }); $(this).data('initialized', true); } }); $a.trackClickSource(".js-work-strip-work-link", "profile_work_strip") }); </script> <div class="js-work-strip profile--work_container" data-work-id="124684308"><div class="profile--work_thumbnail hidden-xs"><a class="js-work-strip-work-link" data-click-track="profile-work-strip-thumbnail" href="https://www.academia.edu/124684308/Chemical_characterization_antioxidant_properties_anti_inflammatory_activity_and_enzyme_inhibition_of_Ipomoea_batatas_L_leaf_extracts"><img alt="Research paper thumbnail of Chemical characterization, antioxidant properties, anti-inflammatory activity, and enzyme inhibition of Ipomoea batatas L. leaf extracts" class="work-thumbnail" src="https://attachments.academia-assets.com/118864594/thumbnails/1.jpg" /></a></div><div class="wp-workCard wp-workCard_itemContainer"><div class="wp-workCard_item wp-workCard--title"><a class="js-work-strip-work-link text-gray-darker" data-click-track="profile-work-strip-title" href="https://www.academia.edu/124684308/Chemical_characterization_antioxidant_properties_anti_inflammatory_activity_and_enzyme_inhibition_of_Ipomoea_batatas_L_leaf_extracts">Chemical characterization, antioxidant properties, anti-inflammatory activity, and enzyme inhibition of Ipomoea batatas L. leaf extracts</a></div><div class="wp-workCard_item"><span>International Journal of Food Properties</span><span>, 2017</span></div><div class="wp-workCard_item"><span class="js-work-more-abstract-truncated">Rutabaga (Brassica napus L.) belonging to Brassicaceae family, is a rich source of polyphenols an...</span><a class="js-work-more-abstract" data-broccoli-component="work_strip.more_abstract" data-click-track="profile-work-strip-more-abstract" href="javascript:;"><span> more </span><span><i class="fa fa-caret-down"></i></span></a><span class="js-work-more-abstract-untruncated hidden">Rutabaga (Brassica napus L.) belonging to Brassicaceae family, is a rich source of polyphenols and glucosinolates. Its consumption in human diet is highly appreciated for its nutritional contribution and health benefits. Brassica napus L. is recognized as the world's most widely grown temperate oilseed crop containing erucic acid for industrial applications, plants germination, animal feed and fuel. In this work we prepared two different extracts of Rutabaga root's pulp and peel, e.g. ultrasound assisted extract (UAE) and homogenizer assisted extract (HAE). The four extracts have been analyzed by HPLC-MS to assess the phytochemical characterization and tested by antioxidant and enzyme inhibitor assays. Rutabaga pulp and peel extracts possess tyrosinase and glucosidase inhibitory activities together with a moderate antioxidant ability. Our results show a high level of glucosinolates, in particular neoglucobrassicin in the peel extract, which let us suppose a potential application as crop in industry and as supplement in human diet.</span></div><div class="wp-workCard_item wp-workCard--actions"><span class="work-strip-bookmark-button-container"></span><a id="739bc155b1f3ce7de8d73378fe13963c" class="wp-workCard--action" rel="nofollow" data-click-track="profile-work-strip-download" data-download="{"attachment_id":118864594,"asset_id":124684308,"asset_type":"Work","button_location":"profile"}" href="https://www.academia.edu/attachments/118864594/download_file?s=profile"><span><i class="fa fa-arrow-down"></i></span><span>Download</span></a><span class="wp-workCard--action visible-if-viewed-by-owner inline-block" style="display: none;"><span class="js-profile-work-strip-edit-button-wrapper profile-work-strip-edit-button-wrapper" data-work-id="124684308"><a class="js-profile-work-strip-edit-button" tabindex="0"><span><i class="fa fa-pencil"></i></span><span>Edit</span></a></span></span></div><div class="wp-workCard_item wp-workCard--stats"><span><span><span class="js-view-count view-count u-mr2x" data-work-id="124684308"><i class="fa fa-spinner fa-spin"></i></span><script>$(function () { var workId = 124684308; 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$(this).data('initialized', true); } }); $a.trackClickSource(".js-work-strip-work-link", "profile_work_strip") }); </script> <div class="js-work-strip profile--work_container" data-work-id="124684307"><div class="profile--work_thumbnail hidden-xs"><a class="js-work-strip-work-link" data-click-track="profile-work-strip-thumbnail" rel="nofollow" href="https://www.academia.edu/124684307/Arginine_and_Lysine_rich_Peptides_Synthesis_Characterization_and_Antimicrobial_Activity"><img alt="Research paper thumbnail of Arginine- and Lysine-rich Peptides: Synthesis, Characterization and Antimicrobial Activity" class="work-thumbnail" src="https://attachments.academia-assets.com/118864571/thumbnails/1.jpg" /></a></div><div class="wp-workCard wp-workCard_itemContainer"><div class="wp-workCard_item wp-workCard--title"><a class="js-work-strip-work-link text-gray-darker" data-click-track="profile-work-strip-title" rel="nofollow" href="https://www.academia.edu/124684307/Arginine_and_Lysine_rich_Peptides_Synthesis_Characterization_and_Antimicrobial_Activity">Arginine- and Lysine-rich Peptides: Synthesis, Characterization and Antimicrobial Activity</a></div><div class="wp-workCard_item"><span>Letters in Drug Design &amp; Discovery</span><span>, 2018</span></div><div class="wp-workCard_item wp-workCard--actions"><span class="work-strip-bookmark-button-container"></span><a id="54a5dc0ceb25cac09892a2a4742a3b9a" class="wp-workCard--action" rel="nofollow" data-click-track="profile-work-strip-download" data-download="{"attachment_id":118864571,"asset_id":124684307,"asset_type":"Work","button_location":"profile"}" href="https://www.academia.edu/attachments/118864571/download_file?s=profile"><span><i class="fa fa-arrow-down"></i></span><span>Download</span></a><span class="wp-workCard--action visible-if-viewed-by-owner inline-block" style="display: none;"><span class="js-profile-work-strip-edit-button-wrapper profile-work-strip-edit-button-wrapper" data-work-id="124684307"><a class="js-profile-work-strip-edit-button" tabindex="0"><span><i class="fa fa-pencil"></i></span><span>Edit</span></a></span></span></div><div class="wp-workCard_item wp-workCard--stats"><span><span><span class="js-view-count view-count u-mr2x" data-work-id="124684307"><i class="fa fa-spinner fa-spin"></i></span><script>$(function () { var workId = 124684307; 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$(this).data('initialized', true); } }); $a.trackClickSource(".js-work-strip-work-link", "profile_work_strip") }); </script> <div class="js-work-strip profile--work_container" data-work-id="124684306"><div class="profile--work_thumbnail hidden-xs"><a class="js-work-strip-work-link" data-click-track="profile-work-strip-thumbnail" href="https://www.academia.edu/124684306/Engineering_disulfide_bonds_in_Selenomonas_ruminantium_%CE%B2_xylosidase_by_experimental_and_computational_methods"><img alt="Research paper thumbnail of Engineering disulfide bonds in Selenomonas ruminantium β-xylosidase by experimental and computational methods" class="work-thumbnail" src="https://attachments.academia-assets.com/118864595/thumbnails/1.jpg" /></a></div><div class="wp-workCard wp-workCard_itemContainer"><div class="wp-workCard_item wp-workCard--title"><a class="js-work-strip-work-link text-gray-darker" data-click-track="profile-work-strip-title" href="https://www.academia.edu/124684306/Engineering_disulfide_bonds_in_Selenomonas_ruminantium_%CE%B2_xylosidase_by_experimental_and_computational_methods">Engineering disulfide bonds in Selenomonas ruminantium β-xylosidase by experimental and computational methods</a></div><div class="wp-workCard_item"><span>International Journal of Biological Macromolecules</span><span>, 2017</span></div><div class="wp-workCard_item"><span class="js-work-more-abstract-truncated">Homotetrameric βxylosidase from Selenomonas ruminantium (SXA) is one of the most efficient enzyme...</span><a class="js-work-more-abstract" data-broccoli-component="work_strip.more_abstract" data-click-track="profile-work-strip-more-abstract" href="javascript:;"><span> more </span><span><i class="fa fa-caret-down"></i></span></a><span class="js-work-more-abstract-untruncated hidden">Homotetrameric βxylosidase from Selenomonas ruminantium (SXA) is one of the most efficient enzymes known for the hydrolysis of cell wall hemicellulose. SXA shows a rapid rate of activity loss at temperatures above 50 • C. In this study, we have introduced two inter-subunit disulfide bridges with one point mutation. Lys237 was chosen to be replaced with cysteine since it interacts with the same residue in the opposite subunit. While pH optimum, temperature profile and catalytic efficiency of the mutated variant were similar to the native enzyme, the mutated enzyme showed about 40% increase in thermal stability at 55 ˚C. Our results showed that introduction of a single residue mutation in structure of SXA results in appearance of two disulfide bonds at dimer-dimer interface of the enzyme. Coarse-grained molecular dynamics (CG-MD) simulations also proved lower amounts of root mean square fluctuation (RMSF) for position 237 and potential energy for mutated SXA. Based these results, we suggest that choosing a correct residue for mutation in multi subunit proteins results in multiple site conversions which equals to several simultaneous mutations. Furthermore, CG-MD simulation in agreement with experimental methods showed higher thermostability of mutated SXA which proved applicability of this simulation for thermostability analysis.</span></div><div class="wp-workCard_item wp-workCard--actions"><span class="work-strip-bookmark-button-container"></span><a id="4dbe77b87f98d8e1817e20ede904ef9f" class="wp-workCard--action" rel="nofollow" data-click-track="profile-work-strip-download" data-download="{"attachment_id":118864595,"asset_id":124684306,"asset_type":"Work","button_location":"profile"}" href="https://www.academia.edu/attachments/118864595/download_file?s=profile"><span><i class="fa fa-arrow-down"></i></span><span>Download</span></a><span class="wp-workCard--action visible-if-viewed-by-owner inline-block" style="display: none;"><span class="js-profile-work-strip-edit-button-wrapper profile-work-strip-edit-button-wrapper" data-work-id="124684306"><a class="js-profile-work-strip-edit-button" tabindex="0"><span><i class="fa fa-pencil"></i></span><span>Edit</span></a></span></span></div><div class="wp-workCard_item wp-workCard--stats"><span><span><span class="js-view-count view-count u-mr2x" data-work-id="124684306"><i class="fa fa-spinner fa-spin"></i></span><script>$(function () { var workId = 124684306; window.Academia.workViewCountsFetcher.queue(workId, function (count) { var description = window.$h.commaizeInt(count) + " " + window.$h.pluralize(count, 'View'); $(".js-view-count[data-work-id=124684306]").text(description); $(".js-view-count[data-work-id=124684306]").attr('title', description).tooltip(); }); });</script></span></span><span><span class="percentile-widget hidden"><span class="u-mr2x work-percentile"></span></span><script>$(function () { var workId = 124684306; window.Academia.workPercentilesFetcher.queue(workId, function (percentileText) { var container = $(".js-work-strip[data-work-id='124684306']"); container.find('.work-percentile').text(percentileText.charAt(0).toUpperCase() + percentileText.slice(1)); container.find('.percentile-widget').show(); container.find('.percentile-widget').removeClass('hidden'); }); });</script></span></div><div id="work-strip-premium-row-container"></div></div></div><script> require.config({ waitSeconds: 90 })(["https://a.academia-assets.com/assets/wow_profile-a9bf3a2bc8c89fa2a77156577594264ee8a0f214d74241bc0fcd3f69f8d107ac.js","https://a.academia-assets.com/assets/work_edit-ad038b8c047c1a8d4fa01b402d530ff93c45fee2137a149a4a5398bc8ad67560.js"], function() { // from javascript_helper.rb var dispatcherData = {} if (true){ window.WowProfile.dispatcher = window.WowProfile.dispatcher || _.clone(Backbone.Events); dispatcherData = { dispatcher: window.WowProfile.dispatcher, downloadLinkId: "4dbe77b87f98d8e1817e20ede904ef9f" } } $('.js-work-strip[data-work-id=124684306]').each(function() { if (!$(this).data('initialized')) { new WowProfile.WorkStripView({ el: this, workJSON: {"id":124684306,"title":"Engineering disulfide bonds in Selenomonas ruminantium β-xylosidase by experimental and computational methods","internal_url":"https://www.academia.edu/124684306/Engineering_disulfide_bonds_in_Selenomonas_ruminantium_%CE%B2_xylosidase_by_experimental_and_computational_methods","owner_id":26655805,"coauthors_can_edit":true,"owner":{"id":26655805,"first_name":"Sako","middle_initials":null,"last_name":"Mirzaie","page_name":"SakoMirzaie","domain_name":"iausdj","created_at":"2015-02-23T04:43:44.973-08:00","display_name":"Sako Mirzaie","url":"https://iausdj.academia.edu/SakoMirzaie"},"attachments":[{"id":118864595,"title":"","file_type":"pdf","scribd_thumbnail_url":"https://attachments.academia-assets.com/118864595/thumbnails/1.jpg","file_name":"j.ijbiomac.2016.10.10420241013-1-edl59s.pdf","download_url":"https://www.academia.edu/attachments/118864595/download_file","bulk_download_file_name":"Engineering_disulfide_bonds_in_Selenomon.pdf","bulk_download_url":"https://d1wqtxts1xzle7.cloudfront.net/118864595/j.ijbiomac.2016.10.10420241013-1-edl59s-libre.pdf?1728835703=\u0026response-content-disposition=attachment%3B+filename%3DEngineering_disulfide_bonds_in_Selenomon.pdf\u0026Expires=1740231315\u0026Signature=W0CzqC9bNdOQQ3Im19WoDijuIn9xLwL4Fe74kTPoP5NLsUzNgJOzb2X2n2blJqKAwbtUvVTd4QclroefHpDiFdzUvNpNvjCxslT61jLXoUWUk5T-e6Yzq-VDKL2ZhCD5DIwmw2mPiNgU-AHbtY5EwmPtl4eLO7F-ghcywVSAPdk4JipMxrl6~mW0Up0ef6R0fPKo0jhHyvk1pp2-dCTEIwOHO3deo~7xwk2U1h4fEW6Y00G94TdE3gkPOsIzet~Q3q687M-OE0Stve50nyrdusKBzRnlepfW1b3~qODSmE4ih~fQu1z8O4JiFX4jfsO-KSMOF8kbP-3FtsMRv7P9Wg__\u0026Key-Pair-Id=APKAJLOHF5GGSLRBV4ZA"}]}, dispatcherData: dispatcherData }); $(this).data('initialized', true); } }); $a.trackClickSource(".js-work-strip-work-link", "profile_work_strip") }); </script> <div class="js-work-strip profile--work_container" data-work-id="124684305"><div class="profile--work_thumbnail hidden-xs"><a class="js-work-strip-work-link" data-click-track="profile-work-strip-thumbnail" rel="nofollow" href="https://www.academia.edu/124684305/Hemopressin_Peptides_as_Modulators_of_the_Endocannabinoid_System_and_their_Potential_Applications_as_Therapeutic_Tools"><img alt="Research paper thumbnail of Hemopressin Peptides as Modulators of the Endocannabinoid System and their Potential Applications as Therapeutic Tools" class="work-thumbnail" src="https://a.academia-assets.com/images/blank-paper.jpg" /></a></div><div class="wp-workCard wp-workCard_itemContainer"><div class="wp-workCard_item wp-workCard--title"><a class="js-work-strip-work-link text-gray-darker" data-click-track="profile-work-strip-title" rel="nofollow" href="https://www.academia.edu/124684305/Hemopressin_Peptides_as_Modulators_of_the_Endocannabinoid_System_and_their_Potential_Applications_as_Therapeutic_Tools">Hemopressin Peptides as Modulators of the Endocannabinoid System and their Potential Applications as Therapeutic Tools</a></div><div class="wp-workCard_item"><span>Protein &amp; Peptide Letters</span><span>, 2016</span></div><div class="wp-workCard_item"><span class="js-work-more-abstract-truncated">The endocannabinoid system is activated by the binding of natural arachidonic acid derivatives (e...</span><a class="js-work-more-abstract" data-broccoli-component="work_strip.more_abstract" data-click-track="profile-work-strip-more-abstract" href="javascript:;"><span> more </span><span><i class="fa fa-caret-down"></i></span></a><span class="js-work-more-abstract-untruncated hidden">The endocannabinoid system is activated by the binding of natural arachidonic acid derivatives (endogenous cannabinoids or endocannabinoids) as lipophilic messengers to cannabinoid receptors CB1 and CB2. The endocannabinoid system comprises also many hydrolytic enzymes responsible for the endocannabinoids cleavage, such as FAAH and MAGL. These two enzymes are possible therapeutic targets for the development of new drugs as indirect cannabinoid agonists. Recently a new family of endocannabinoid modulators was discovered; the lead of this family is the nonapeptide hemopressin produced from enzymatic cleavage of the α-chain of hemoglobin and acting as negative allosteric modulator of CB1. Hemopressin shows several physiological effects, e.g. antinociception, hypophagy, and hypotension. It is still matter of debate whether this peptide, isolated from the brain of rats is a real neuromodulator of the endocannabinoid system. Recent evidence indicates that hemopressin could be a by-product formed by chemical degradation of a longer peptide RVD-hemopressin during the extraction from the brain homolysate. Indeed, RVD-hemopressin is more active than hemopressin in certain biological tests and may bind to the same subsite as Rimonabant, which is an inverse agonist for the CB1 receptor and a μ-opioid receptor antagonist. These findings have stimulated several studies to verify this hypothesis and to evaluate possible therapeutic applications of hemopressin, its peptidic derivatives and synthetic analogues, opening new perspectives to the development of novel cannabinoid drugs.</span></div><div class="wp-workCard_item wp-workCard--actions"><span class="work-strip-bookmark-button-container"></span><span class="wp-workCard--action visible-if-viewed-by-owner inline-block" style="display: none;"><span class="js-profile-work-strip-edit-button-wrapper profile-work-strip-edit-button-wrapper" data-work-id="124684305"><a class="js-profile-work-strip-edit-button" tabindex="0"><span><i class="fa fa-pencil"></i></span><span>Edit</span></a></span></span></div><div class="wp-workCard_item wp-workCard--stats"><span><span><span class="js-view-count view-count u-mr2x" data-work-id="124684305"><i class="fa fa-spinner fa-spin"></i></span><script>$(function () { var workId = 124684305; window.Academia.workViewCountsFetcher.queue(workId, function (count) { var description = window.$h.commaizeInt(count) + " " + window.$h.pluralize(count, 'View'); $(".js-view-count[data-work-id=124684305]").text(description); $(".js-view-count[data-work-id=124684305]").attr('title', description).tooltip(); }); });</script></span></span><span><span class="percentile-widget hidden"><span class="u-mr2x work-percentile"></span></span><script>$(function () { var workId = 124684305; window.Academia.workPercentilesFetcher.queue(workId, function (percentileText) { var container = $(".js-work-strip[data-work-id='124684305']"); container.find('.work-percentile').text(percentileText.charAt(0).toUpperCase() + percentileText.slice(1)); container.find('.percentile-widget').show(); container.find('.percentile-widget').removeClass('hidden'); }); });</script></span></div><div id="work-strip-premium-row-container"></div></div></div><script> require.config({ waitSeconds: 90 })(["https://a.academia-assets.com/assets/wow_profile-a9bf3a2bc8c89fa2a77156577594264ee8a0f214d74241bc0fcd3f69f8d107ac.js","https://a.academia-assets.com/assets/work_edit-ad038b8c047c1a8d4fa01b402d530ff93c45fee2137a149a4a5398bc8ad67560.js"], function() { // from javascript_helper.rb var dispatcherData = {} if (false){ window.WowProfile.dispatcher = window.WowProfile.dispatcher || _.clone(Backbone.Events); dispatcherData = { dispatcher: window.WowProfile.dispatcher, downloadLinkId: "-1" } } $('.js-work-strip[data-work-id=124684305]').each(function() { if (!$(this).data('initialized')) { new WowProfile.WorkStripView({ el: this, workJSON: {"id":124684305,"title":"Hemopressin Peptides as Modulators of the Endocannabinoid System and their Potential Applications as Therapeutic Tools","internal_url":"https://www.academia.edu/124684305/Hemopressin_Peptides_as_Modulators_of_the_Endocannabinoid_System_and_their_Potential_Applications_as_Therapeutic_Tools","owner_id":26655805,"coauthors_can_edit":true,"owner":{"id":26655805,"first_name":"Sako","middle_initials":null,"last_name":"Mirzaie","page_name":"SakoMirzaie","domain_name":"iausdj","created_at":"2015-02-23T04:43:44.973-08:00","display_name":"Sako Mirzaie","url":"https://iausdj.academia.edu/SakoMirzaie"},"attachments":[]}, dispatcherData: dispatcherData }); $(this).data('initialized', true); } }); $a.trackClickSource(".js-work-strip-work-link", "profile_work_strip") }); </script> <div class="js-work-strip profile--work_container" data-work-id="124684304"><div class="profile--work_thumbnail hidden-xs"><a class="js-work-strip-work-link" data-click-track="profile-work-strip-thumbnail" href="https://www.academia.edu/124684304/Evaluation_of_the_analgesic_effect_of_4_anilidopiperidine_scaffold_containing_ureas_and_carbamates"><img alt="Research paper thumbnail of Evaluation of the analgesic effect of 4-anilidopiperidine scaffold containing ureas and carbamates" class="work-thumbnail" src="https://attachments.academia-assets.com/118864592/thumbnails/1.jpg" /></a></div><div class="wp-workCard wp-workCard_itemContainer"><div class="wp-workCard_item wp-workCard--title"><a class="js-work-strip-work-link text-gray-darker" data-click-track="profile-work-strip-title" href="https://www.academia.edu/124684304/Evaluation_of_the_analgesic_effect_of_4_anilidopiperidine_scaffold_containing_ureas_and_carbamates">Evaluation of the analgesic effect of 4-anilidopiperidine scaffold containing ureas and carbamates</a></div><div class="wp-workCard_item"><span>Journal of enzyme inhibition and medicinal chemistry</span><span>, Jan 11, 2016</span></div><div class="wp-workCard_item"><span class="js-work-more-abstract-truncated">Fentanyl is a powerful opiate analgesic typically used for the treatment of severe and chronic pa...</span><a class="js-work-more-abstract" data-broccoli-component="work_strip.more_abstract" data-click-track="profile-work-strip-more-abstract" href="javascript:;"><span> more </span><span><i class="fa fa-caret-down"></i></span></a><span class="js-work-more-abstract-untruncated hidden">Fentanyl is a powerful opiate analgesic typically used for the treatment of severe and chronic pain, but its prescription is strongly limited by the well-documented side-effects. Different approaches have been applied to develop strong analgesic drugs with reduced pharmacologic side-effects. One of the most promising is the design of multitarget drugs. In this paper we report the synthesis, characterization and biological evaluation of twelve new 4-anilidopiperidine (fentanyl analogues). In vivo hot-Plate test, shows a moderate antinociceptive activity for compounds OMDM585 and OMDM586, despite the weak binding affinity on both μ and δ-opioid receptors. A strong inverse agonist activity in the GTP-binding assay was revealed suggesting the involvement of alternative systems in the brain. Fatty acid amide hydrolase inhibition was evaluated, together with binding assays of cannabinoid receptors. We can conclude that compounds OMDM585 and 586 are capable to elicit antinociception due to...</span></div><div class="wp-workCard_item wp-workCard--actions"><span class="work-strip-bookmark-button-container"></span><a id="13eb47a8b47f01972c24400e8065505f" class="wp-workCard--action" rel="nofollow" data-click-track="profile-work-strip-download" data-download="{"attachment_id":118864592,"asset_id":124684304,"asset_type":"Work","button_location":"profile"}" href="https://www.academia.edu/attachments/118864592/download_file?s=profile"><span><i class="fa fa-arrow-down"></i></span><span>Download</span></a><span class="wp-workCard--action visible-if-viewed-by-owner inline-block" style="display: none;"><span class="js-profile-work-strip-edit-button-wrapper profile-work-strip-edit-button-wrapper" data-work-id="124684304"><a class="js-profile-work-strip-edit-button" tabindex="0"><span><i class="fa fa-pencil"></i></span><span>Edit</span></a></span></span></div><div class="wp-workCard_item wp-workCard--stats"><span><span><span class="js-view-count view-count u-mr2x" data-work-id="124684304"><i class="fa fa-spinner fa-spin"></i></span><script>$(function () { var workId = 124684304; window.Academia.workViewCountsFetcher.queue(workId, function (count) { var description = window.$h.commaizeInt(count) + " " + window.$h.pluralize(count, 'View'); $(".js-view-count[data-work-id=124684304]").text(description); $(".js-view-count[data-work-id=124684304]").attr('title', description).tooltip(); }); });</script></span></span><span><span class="percentile-widget hidden"><span class="u-mr2x work-percentile"></span></span><script>$(function () { var workId = 124684304; window.Academia.workPercentilesFetcher.queue(workId, function (percentileText) { var container = $(".js-work-strip[data-work-id='124684304']"); container.find('.work-percentile').text(percentileText.charAt(0).toUpperCase() + percentileText.slice(1)); container.find('.percentile-widget').show(); container.find('.percentile-widget').removeClass('hidden'); }); });</script></span></div><div id="work-strip-premium-row-container"></div></div></div><script> require.config({ waitSeconds: 90 })(["https://a.academia-assets.com/assets/wow_profile-a9bf3a2bc8c89fa2a77156577594264ee8a0f214d74241bc0fcd3f69f8d107ac.js","https://a.academia-assets.com/assets/work_edit-ad038b8c047c1a8d4fa01b402d530ff93c45fee2137a149a4a5398bc8ad67560.js"], function() { // from javascript_helper.rb var dispatcherData = {} if (true){ window.WowProfile.dispatcher = window.WowProfile.dispatcher || _.clone(Backbone.Events); 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$(this).data('initialized', true); } }); $a.trackClickSource(".js-work-strip-work-link", "profile_work_strip") }); </script> <div class="js-work-strip profile--work_container" data-work-id="124684303"><div class="profile--work_thumbnail hidden-xs"><a class="js-work-strip-work-link" data-click-track="profile-work-strip-thumbnail" href="https://www.academia.edu/124684303/Exploring_the_biological_consequences_of_conformational_changes_in_aspartame_models_containing_constrained_analogues_of_phenylalanine"><img alt="Research paper thumbnail of Exploring the biological consequences of conformational changes in aspartame models containing constrained analogues of phenylalanine" class="work-thumbnail" src="https://attachments.academia-assets.com/118864590/thumbnails/1.jpg" /></a></div><div class="wp-workCard wp-workCard_itemContainer"><div class="wp-workCard_item wp-workCard--title"><a class="js-work-strip-work-link text-gray-darker" data-click-track="profile-work-strip-title" href="https://www.academia.edu/124684303/Exploring_the_biological_consequences_of_conformational_changes_in_aspartame_models_containing_constrained_analogues_of_phenylalanine">Exploring the biological consequences of conformational changes in aspartame models containing constrained analogues of phenylalanine</a></div><div class="wp-workCard_item"><span>Journal of enzyme inhibition and medicinal chemistry</span><span>, Jan 26, 2015</span></div><div class="wp-workCard_item"><span class="js-work-more-abstract-truncated">The dipeptide aspartame (Asp-Phe-OMe) is a sweetener widely used in replacement of sucrose by foo...</span><a class="js-work-more-abstract" data-broccoli-component="work_strip.more_abstract" data-click-track="profile-work-strip-more-abstract" href="javascript:;"><span> more </span><span><i class="fa fa-caret-down"></i></span></a><span class="js-work-more-abstract-untruncated hidden">The dipeptide aspartame (Asp-Phe-OMe) is a sweetener widely used in replacement of sucrose by food industry. 2&#39;,6&#39;-Dimethyltyrosine (DMT) and 2&#39;,6&#39;-dimethylphenylalanine (DMP) are two synthetic phenylalanine-constrained analogues, with a limited freedom in χ-space due to the presence of methyl groups in position 2&#39;,6&#39; of the aromatic ring. These residues have shown to increase the activity of opioid peptides, such as endomorphins improving the binding to the opioid receptors. In this work, DMT and DMP have been synthesized following a diketopiperazine-mediated route and the corresponding aspartame derivatives (Asp-DMT-OMe and Asp-DMP-OMe) have been evaluated in vivo and in silico for their activity as synthetic sweeteners.</span></div><div class="wp-workCard_item wp-workCard--actions"><span class="work-strip-bookmark-button-container"></span><a id="d032d49736c1d7b824855ae4b7def873" class="wp-workCard--action" rel="nofollow" data-click-track="profile-work-strip-download" data-download="{"attachment_id":118864590,"asset_id":124684303,"asset_type":"Work","button_location":"profile"}" href="https://www.academia.edu/attachments/118864590/download_file?s=profile"><span><i class="fa fa-arrow-down"></i></span><span>Download</span></a><span class="wp-workCard--action visible-if-viewed-by-owner inline-block" style="display: none;"><span class="js-profile-work-strip-edit-button-wrapper profile-work-strip-edit-button-wrapper" data-work-id="124684303"><a class="js-profile-work-strip-edit-button" tabindex="0"><span><i class="fa fa-pencil"></i></span><span>Edit</span></a></span></span></div><div class="wp-workCard_item wp-workCard--stats"><span><span><span class="js-view-count view-count u-mr2x" data-work-id="124684303"><i class="fa fa-spinner fa-spin"></i></span><script>$(function () { var workId = 124684303; 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$(this).data('initialized', true); } }); $a.trackClickSource(".js-work-strip-work-link", "profile_work_strip") }); </script> <div class="js-work-strip profile--work_container" data-work-id="124684302"><div class="profile--work_thumbnail hidden-xs"><a class="js-work-strip-work-link" data-click-track="profile-work-strip-thumbnail" href="https://www.academia.edu/124684302/Preparation_of_Constrained_Unnatural_Aromatic_Amino_AcidsviaUnsaturated_Diketopiperazine_Intermediate"><img alt="Research paper thumbnail of Preparation of Constrained Unnatural Aromatic Amino AcidsviaUnsaturated Diketopiperazine Intermediate" class="work-thumbnail" src="https://attachments.academia-assets.com/118864591/thumbnails/1.jpg" /></a></div><div class="wp-workCard wp-workCard_itemContainer"><div class="wp-workCard_item wp-workCard--title"><a class="js-work-strip-work-link text-gray-darker" data-click-track="profile-work-strip-title" href="https://www.academia.edu/124684302/Preparation_of_Constrained_Unnatural_Aromatic_Amino_AcidsviaUnsaturated_Diketopiperazine_Intermediate">Preparation of Constrained Unnatural Aromatic Amino AcidsviaUnsaturated Diketopiperazine Intermediate</a></div><div class="wp-workCard_item"><span>Journal of Heterocyclic Chemistry</span><span>, 2015</span></div><div class="wp-workCard_item"><span class="js-work-more-abstract-truncated">Unnatural aromatic amino acids are useful tools in drug discovery, since their insertion in bioac...</span><a class="js-work-more-abstract" data-broccoli-component="work_strip.more_abstract" data-click-track="profile-work-strip-more-abstract" href="javascript:;"><span> more </span><span><i class="fa fa-caret-down"></i></span></a><span class="js-work-more-abstract-untruncated hidden">Unnatural aromatic amino acids are useful tools in drug discovery, since their insertion in bioactive peptide sequences can change the side chains spatial orientation, the backbone conformation and above all, their bioactivity. In this communication, we propose a straightforward method to synthesize 2′,6′-dimethyl-tyrosine and 2′,6′-dimehylphenyl-alanine derivatives as handling building blocks for peptide synthesis via unsaturated diketopiperazine (DKP) intermediate.</span></div><div class="wp-workCard_item wp-workCard--actions"><span class="work-strip-bookmark-button-container"></span><a id="0785b3e07e30860e9e1985b64353f73e" class="wp-workCard--action" rel="nofollow" data-click-track="profile-work-strip-download" data-download="{"attachment_id":118864591,"asset_id":124684302,"asset_type":"Work","button_location":"profile"}" href="https://www.academia.edu/attachments/118864591/download_file?s=profile"><span><i class="fa fa-arrow-down"></i></span><span>Download</span></a><span class="wp-workCard--action visible-if-viewed-by-owner inline-block" style="display: none;"><span class="js-profile-work-strip-edit-button-wrapper profile-work-strip-edit-button-wrapper" data-work-id="124684302"><a class="js-profile-work-strip-edit-button" tabindex="0"><span><i class="fa fa-pencil"></i></span><span>Edit</span></a></span></span></div><div class="wp-workCard_item wp-workCard--stats"><span><span><span class="js-view-count view-count u-mr2x" data-work-id="124684302"><i class="fa fa-spinner fa-spin"></i></span><script>$(function () { var workId = 124684302; window.Academia.workViewCountsFetcher.queue(workId, function (count) { var description = window.$h.commaizeInt(count) + " " + window.$h.pluralize(count, 'View'); $(".js-view-count[data-work-id=124684302]").text(description); $(".js-view-count[data-work-id=124684302]").attr('title', description).tooltip(); }); });</script></span></span><span><span class="percentile-widget hidden"><span class="u-mr2x work-percentile"></span></span><script>$(function () { var workId = 124684302; window.Academia.workPercentilesFetcher.queue(workId, function (percentileText) { var container = $(".js-work-strip[data-work-id='124684302']"); container.find('.work-percentile').text(percentileText.charAt(0).toUpperCase() + percentileText.slice(1)); container.find('.percentile-widget').show(); container.find('.percentile-widget').removeClass('hidden'); }); });</script></span></div><div id="work-strip-premium-row-container"></div></div></div><script> require.config({ waitSeconds: 90 })(["https://a.academia-assets.com/assets/wow_profile-a9bf3a2bc8c89fa2a77156577594264ee8a0f214d74241bc0fcd3f69f8d107ac.js","https://a.academia-assets.com/assets/work_edit-ad038b8c047c1a8d4fa01b402d530ff93c45fee2137a149a4a5398bc8ad67560.js"], function() { // from javascript_helper.rb var dispatcherData = {} if (true){ window.WowProfile.dispatcher = window.WowProfile.dispatcher || _.clone(Backbone.Events); 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$(this).data('initialized', true); } }); $a.trackClickSource(".js-work-strip-work-link", "profile_work_strip") }); </script> <div class="js-work-strip profile--work_container" data-work-id="124684301"><div class="profile--work_thumbnail hidden-xs"><a class="js-work-strip-work-link" data-click-track="profile-work-strip-thumbnail" href="https://www.academia.edu/124684301/Monoterpenes_as_nitrofurantoin_resistance_modulating_agents_minimal_structural_requirements_molecular_dynamics_simulations_and_the_effect_of_piperitone_on_the_emergence_of_nitrofurantoin_resistance_in_Enterobacteriaceae"><img alt="Research paper thumbnail of Monoterpenes as nitrofurantoin resistance modulating agents: minimal structural requirements, molecular dynamics simulations, and the effect of piperitone on the emergence of nitrofurantoin resistance in Enterobacteriaceae" class="work-thumbnail" src="https://attachments.academia-assets.com/118864593/thumbnails/1.jpg" /></a></div><div class="wp-workCard wp-workCard_itemContainer"><div class="wp-workCard_item wp-workCard--title"><a class="js-work-strip-work-link text-gray-darker" data-click-track="profile-work-strip-title" href="https://www.academia.edu/124684301/Monoterpenes_as_nitrofurantoin_resistance_modulating_agents_minimal_structural_requirements_molecular_dynamics_simulations_and_the_effect_of_piperitone_on_the_emergence_of_nitrofurantoin_resistance_in_Enterobacteriaceae">Monoterpenes as nitrofurantoin resistance modulating agents: minimal structural requirements, molecular dynamics simulations, and the effect of piperitone on the emergence of nitrofurantoin resistance in Enterobacteriaceae</a></div><div class="wp-workCard_item"><span>Journal of molecular modeling</span><span>, 2015</span></div><div class="wp-workCard_item"><span class="js-work-more-abstract-truncated">The effects of different monoterpenes and 2-cyclohexen-1-one on the antibacterial activity of nit...</span><a class="js-work-more-abstract" data-broccoli-component="work_strip.more_abstract" data-click-track="profile-work-strip-more-abstract" href="javascript:;"><span> more </span><span><i class="fa fa-caret-down"></i></span></a><span class="js-work-more-abstract-untruncated hidden">The effects of different monoterpenes and 2-cyclohexen-1-one on the antibacterial activity of nitrofurantoin against resistant Enterobacter cloacae, were compared and the minimal structural component of monoterpene required for the highest level of resistance-modulating activity was determined. Subinhibitory concentrations of all compounds tested enhanced the antibacterial activity of nitrofurantoin against E. cloacae to different extents. The highest synergistic effect was observed for the monoterpenes, like piperitone, which contained a conjugated ketone and C=C bond in their carbon ring structure. Piperitone also suppressed the emergence of nitrofurantoin-resistant strains of Enterobacteriaceae that were mutagenized by ethyl methanesulfonate. The modes of interaction of carvone, piperitone, and an enzyme inhibitor, benzoate, with nitroreductase were investigated by molecular docking and molecular dynamic (MD) simulation for 20 ns. MD simulation supported greater stability of the ...</span></div><div class="wp-workCard_item wp-workCard--actions"><span class="work-strip-bookmark-button-container"></span><a id="a94a6756c28d1ba113a3aef2b9c145b1" class="wp-workCard--action" rel="nofollow" data-click-track="profile-work-strip-download" data-download="{"attachment_id":118864593,"asset_id":124684301,"asset_type":"Work","button_location":"profile"}" href="https://www.academia.edu/attachments/118864593/download_file?s=profile"><span><i class="fa fa-arrow-down"></i></span><span>Download</span></a><span class="wp-workCard--action visible-if-viewed-by-owner inline-block" style="display: none;"><span class="js-profile-work-strip-edit-button-wrapper profile-work-strip-edit-button-wrapper" data-work-id="124684301"><a class="js-profile-work-strip-edit-button" tabindex="0"><span><i class="fa fa-pencil"></i></span><span>Edit</span></a></span></span></div><div class="wp-workCard_item wp-workCard--stats"><span><span><span class="js-view-count view-count u-mr2x" data-work-id="124684301"><i class="fa fa-spinner fa-spin"></i></span><script>$(function () { var workId = 124684301; 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$(this).data('initialized', true); } }); $a.trackClickSource(".js-work-strip-work-link", "profile_work_strip") }); </script> <div class="js-work-strip profile--work_container" data-work-id="124684300"><div class="profile--work_thumbnail hidden-xs"><a class="js-work-strip-work-link" data-click-track="profile-work-strip-thumbnail" rel="nofollow" href="https://www.academia.edu/124684300/Nicotine_inhibition_of_lycopene_cyclase"><img alt="Research paper thumbnail of Nicotine inhibition of lycopene cyclase" class="work-thumbnail" src="https://a.academia-assets.com/images/blank-paper.jpg" /></a></div><div class="wp-workCard wp-workCard_itemContainer"><div class="wp-workCard_item wp-workCard--title"><a class="js-work-strip-work-link text-gray-darker" data-click-track="profile-work-strip-title" rel="nofollow" href="https://www.academia.edu/124684300/Nicotine_inhibition_of_lycopene_cyclase">Nicotine inhibition of lycopene cyclase</a></div><div class="wp-workCard_item wp-workCard--actions"><span class="work-strip-bookmark-button-container"></span><span class="wp-workCard--action visible-if-viewed-by-owner inline-block" style="display: none;"><span class="js-profile-work-strip-edit-button-wrapper profile-work-strip-edit-button-wrapper" data-work-id="124684300"><a class="js-profile-work-strip-edit-button" tabindex="0"><span><i class="fa fa-pencil"></i></span><span>Edit</span></a></span></span></div><div class="wp-workCard_item wp-workCard--stats"><span><span><span class="js-view-count view-count u-mr2x" data-work-id="124684300"><i class="fa fa-spinner fa-spin"></i></span><script>$(function () { var workId = 124684300; window.Academia.workViewCountsFetcher.queue(workId, function (count) { var description = window.$h.commaizeInt(count) + " " + window.$h.pluralize(count, 'View'); $(".js-view-count[data-work-id=124684300]").text(description); $(".js-view-count[data-work-id=124684300]").attr('title', description).tooltip(); }); });</script></span></span><span><span class="percentile-widget hidden"><span class="u-mr2x work-percentile"></span></span><script>$(function () { var workId = 124684300; window.Academia.workPercentilesFetcher.queue(workId, function (percentileText) { var container = $(".js-work-strip[data-work-id='124684300']"); container.find('.work-percentile').text(percentileText.charAt(0).toUpperCase() + percentileText.slice(1)); container.find('.percentile-widget').show(); container.find('.percentile-widget').removeClass('hidden'); }); });</script></span></div><div id="work-strip-premium-row-container"></div></div></div><script> require.config({ waitSeconds: 90 })(["https://a.academia-assets.com/assets/wow_profile-a9bf3a2bc8c89fa2a77156577594264ee8a0f214d74241bc0fcd3f69f8d107ac.js","https://a.academia-assets.com/assets/work_edit-ad038b8c047c1a8d4fa01b402d530ff93c45fee2137a149a4a5398bc8ad67560.js"], function() { // from javascript_helper.rb var dispatcherData = {} if (false){ window.WowProfile.dispatcher = window.WowProfile.dispatcher || _.clone(Backbone.Events); dispatcherData = { dispatcher: window.WowProfile.dispatcher, downloadLinkId: "-1" } } $('.js-work-strip[data-work-id=124684300]').each(function() { if (!$(this).data('initialized')) { new WowProfile.WorkStripView({ el: this, workJSON: {"id":124684300,"title":"Nicotine inhibition of lycopene cyclase","internal_url":"https://www.academia.edu/124684300/Nicotine_inhibition_of_lycopene_cyclase","owner_id":26655805,"coauthors_can_edit":true,"owner":{"id":26655805,"first_name":"Sako","middle_initials":null,"last_name":"Mirzaie","page_name":"SakoMirzaie","domain_name":"iausdj","created_at":"2015-02-23T04:43:44.973-08:00","display_name":"Sako Mirzaie","url":"https://iausdj.academia.edu/SakoMirzaie"},"attachments":[]}, dispatcherData: dispatcherData }); $(this).data('initialized', true); } }); $a.trackClickSource(".js-work-strip-work-link", "profile_work_strip") }); </script> <div class="js-work-strip profile--work_container" data-work-id="124684298"><div class="profile--work_thumbnail hidden-xs"><a class="js-work-strip-work-link" data-click-track="profile-work-strip-thumbnail" rel="nofollow" href="https://www.academia.edu/124684298/Transdermal_delivery_of_a_somatostatin_receptor_type_2_antagonist_using_microneedle_patch_technology_for_hypoglycemia_prevention"><img alt="Research paper thumbnail of Transdermal delivery of a somatostatin receptor type 2 antagonist using microneedle patch technology for hypoglycemia prevention" class="work-thumbnail" src="https://a.academia-assets.com/images/blank-paper.jpg" /></a></div><div class="wp-workCard wp-workCard_itemContainer"><div class="wp-workCard_item wp-workCard--title"><a class="js-work-strip-work-link text-gray-darker" data-click-track="profile-work-strip-title" rel="nofollow" href="https://www.academia.edu/124684298/Transdermal_delivery_of_a_somatostatin_receptor_type_2_antagonist_using_microneedle_patch_technology_for_hypoglycemia_prevention">Transdermal delivery of a somatostatin receptor type 2 antagonist using microneedle patch technology for hypoglycemia prevention</a></div><div class="wp-workCard_item"><span>Drug Delivery and Translational Research</span><span>, 2021</span></div><div class="wp-workCard_item"><span class="js-work-more-abstract-truncated">Hypoglycemia is a serious and potentially fatal complication experienced by people with insulin-d...</span><a class="js-work-more-abstract" data-broccoli-component="work_strip.more_abstract" data-click-track="profile-work-strip-more-abstract" href="javascript:;"><span> more </span><span><i class="fa fa-caret-down"></i></span></a><span class="js-work-more-abstract-untruncated hidden">Hypoglycemia is a serious and potentially fatal complication experienced by people with insulin-dependent diabetes. The complication is usually caused by insulin overdose, skipping meals, and/or excessive physical activities. In type 1 diabetes (T1D), on top of impaired pancreatic α-cells, excessive levels of somatostatin from δ-cells further inhibit glucagon secretion to counteract overdosed insulin. Herein, we aimed to develop a microneedle (MN) patch for transdermal delivery of a peptide (PRL-2903) that antagonizes somatostatin receptor type 2 (SSTR2) in α-cells. First, we investigated the efficacy of subcutaneously administered PRL-2903 and identified the optimal dose (i.e., the minimum effective dose) and treatment scheduling (i.e., the best administration time for hypoglycemia prevention) in a T1D rat model. We then designed an MN patch using a hyaluronic acid (HA)-based polymer. The possible effect of the polymer on stabilizing the native structure of PRL-2903 was studied by molecular dynamics (MD) simulations. The results showed that the HA-based polymer could stabilize the PRL-2903 structure by restricting water molecules, promoting intra-molecular H-bonding, and constraining torsional angles of important bonds. In vivo studies with an overdose insulin challenge revealed that the PRL-2903-loaded MN patch effectively increased the plasma glucagon level, restored the counter-regulation of blood glucose concentration, and prevented hypoglycemia. The proposed MN patch is the first demonstration of a transdermal microneedle patch designed to deliver an SSTR2 antagonist for the prevention of hypoglycemia. This counter-regulatory peptide delivery system may be applied alongside with insulin delivery systems to provide a more effective and safer treatment for people with insulin-dependent diabetes.</span></div><div class="wp-workCard_item wp-workCard--actions"><span class="work-strip-bookmark-button-container"></span><span class="wp-workCard--action visible-if-viewed-by-owner inline-block" style="display: none;"><span class="js-profile-work-strip-edit-button-wrapper profile-work-strip-edit-button-wrapper" data-work-id="124684298"><a class="js-profile-work-strip-edit-button" tabindex="0"><span><i class="fa fa-pencil"></i></span><span>Edit</span></a></span></span></div><div class="wp-workCard_item wp-workCard--stats"><span><span><span class="js-view-count view-count u-mr2x" data-work-id="124684298"><i class="fa fa-spinner fa-spin"></i></span><script>$(function () { var workId = 124684298; window.Academia.workViewCountsFetcher.queue(workId, function (count) { var description = window.$h.commaizeInt(count) + " " + window.$h.pluralize(count, 'View'); $(".js-view-count[data-work-id=124684298]").text(description); $(".js-view-count[data-work-id=124684298]").attr('title', description).tooltip(); }); });</script></span></span><span><span class="percentile-widget hidden"><span class="u-mr2x work-percentile"></span></span><script>$(function () { var workId = 124684298; window.Academia.workPercentilesFetcher.queue(workId, function (percentileText) { var container = $(".js-work-strip[data-work-id='124684298']"); container.find('.work-percentile').text(percentileText.charAt(0).toUpperCase() + percentileText.slice(1)); container.find('.percentile-widget').show(); container.find('.percentile-widget').removeClass('hidden'); }); });</script></span></div><div id="work-strip-premium-row-container"></div></div></div><script> require.config({ waitSeconds: 90 })(["https://a.academia-assets.com/assets/wow_profile-a9bf3a2bc8c89fa2a77156577594264ee8a0f214d74241bc0fcd3f69f8d107ac.js","https://a.academia-assets.com/assets/work_edit-ad038b8c047c1a8d4fa01b402d530ff93c45fee2137a149a4a5398bc8ad67560.js"], function() { // from javascript_helper.rb var dispatcherData = {} if (false){ window.WowProfile.dispatcher = window.WowProfile.dispatcher || _.clone(Backbone.Events); dispatcherData = { dispatcher: window.WowProfile.dispatcher, downloadLinkId: "-1" } } $('.js-work-strip[data-work-id=124684298]').each(function() { if (!$(this).data('initialized')) { new WowProfile.WorkStripView({ el: this, workJSON: {"id":124684298,"title":"Transdermal delivery of a somatostatin receptor type 2 antagonist using microneedle patch technology for hypoglycemia prevention","internal_url":"https://www.academia.edu/124684298/Transdermal_delivery_of_a_somatostatin_receptor_type_2_antagonist_using_microneedle_patch_technology_for_hypoglycemia_prevention","owner_id":26655805,"coauthors_can_edit":true,"owner":{"id":26655805,"first_name":"Sako","middle_initials":null,"last_name":"Mirzaie","page_name":"SakoMirzaie","domain_name":"iausdj","created_at":"2015-02-23T04:43:44.973-08:00","display_name":"Sako Mirzaie","url":"https://iausdj.academia.edu/SakoMirzaie"},"attachments":[]}, dispatcherData: dispatcherData }); $(this).data('initialized', true); } }); $a.trackClickSource(".js-work-strip-work-link", "profile_work_strip") }); </script> </div><div class="profile--tab_content_container js-tab-pane tab-pane" data-section-id="2784255" id="papers"><div class="js-work-strip profile--work_container" data-work-id="124684328"><div class="profile--work_thumbnail hidden-xs"><a class="js-work-strip-work-link" data-click-track="profile-work-strip-thumbnail" href="https://www.academia.edu/124684328/Discovery_of_Serine_Threonine_Protein_Kinase_4_Inhibitor_by_Molecular_Docking_and_Molecular_Dynamics_Studies_for_Treatment_of_Diabetes"><img alt="Research paper thumbnail of Discovery of Serine/Threonine-Protein Kinase 4 Inhibitor by Molecular Docking and Molecular Dynamics Studies for Treatment of Diabetes" class="work-thumbnail" src="https://attachments.academia-assets.com/118864579/thumbnails/1.jpg" /></a></div><div class="wp-workCard wp-workCard_itemContainer"><div class="wp-workCard_item wp-workCard--title"><a class="js-work-strip-work-link text-gray-darker" data-click-track="profile-work-strip-title" href="https://www.academia.edu/124684328/Discovery_of_Serine_Threonine_Protein_Kinase_4_Inhibitor_by_Molecular_Docking_and_Molecular_Dynamics_Studies_for_Treatment_of_Diabetes">Discovery of Serine/Threonine-Protein Kinase 4 Inhibitor by Molecular Docking and Molecular Dynamics Studies for Treatment of Diabetes</a></div><div class="wp-workCard_item"><span>Scientific Journal of Kurdistan University of Medical Sciences</span></div><div class="wp-workCard_item"><span class="js-work-more-abstract-truncated">Background and Aim: Nowadays, diabetes mellitus is a major challenge for human health. Serine/thr...</span><a class="js-work-more-abstract" data-broccoli-component="work_strip.more_abstract" data-click-track="profile-work-strip-more-abstract" href="javascript:;"><span> more </span><span><i class="fa fa-caret-down"></i></span></a><span class="js-work-more-abstract-untruncated hidden">Background and Aim: Nowadays, diabetes mellitus is a major challenge for human health. Serine/threonine-protein kinase 4 (STK4) is a main regulator of pancreatic β-cell death and dysfunction, and its over activation can lead to type 1 and type 2 diabetes. Deficiency of STK4 restores functional β-cells and normoglycemia. In the current study, for the first time, we used molecular modeling to discover a potent STK4 inhibitor. Materials and Methods: In this study, among 51220 molecules in ZINC database, we used the molecular docking method for virtual screening process to select the potent and effective inhibitors against STK4. We used Desmond software for molecular dynamics (MD) simulations studies of the structures with the lowest free binding energy for 100 ns. The ADME properties of the selected compounds were calculated by Qikprop software. Results: Virtual screening results showed that compounds with ZINC ID of ZINC95918625, ZINC85569233, ZINC03874317, ZINC00105086 and ZINC14819359 can be considered as STK4 inhibitors. Among these compounds, ZINC95918625 had the lowest free binding energy (-11.67 kcal/mol). After the 100 ns MD studies, ZINC95918625 interacted with STK4 residues of Lys59, Glu73, Cys105, and Gly153 via hydrogen bonding. ADME analysis exhibited that all pharmaco-kinteic parameters of ZINC95918625 were within the reasonable range. Conclusion: Our study can provide valuable information about new inhibitors for diabetes treatment. The findings of this study indicated that ZINC95918625 molecule could be used as a novel STK4 inhibitor in the future studies.</span></div><div class="wp-workCard_item wp-workCard--actions"><span class="work-strip-bookmark-button-container"></span><a id="74a9a5d644c860d2dcfd4546970e8511" class="wp-workCard--action" rel="nofollow" data-click-track="profile-work-strip-download" data-download="{"attachment_id":118864579,"asset_id":124684328,"asset_type":"Work","button_location":"profile"}" href="https://www.academia.edu/attachments/118864579/download_file?s=profile"><span><i class="fa fa-arrow-down"></i></span><span>Download</span></a><span class="wp-workCard--action visible-if-viewed-by-owner inline-block" style="display: none;"><span class="js-profile-work-strip-edit-button-wrapper profile-work-strip-edit-button-wrapper" data-work-id="124684328"><a class="js-profile-work-strip-edit-button" tabindex="0"><span><i class="fa fa-pencil"></i></span><span>Edit</span></a></span></span></div><div class="wp-workCard_item wp-workCard--stats"><span><span><span class="js-view-count view-count u-mr2x" data-work-id="124684328"><i class="fa fa-spinner fa-spin"></i></span><script>$(function () { var workId = 124684328; 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$(this).data('initialized', true); } }); $a.trackClickSource(".js-work-strip-work-link", "profile_work_strip") }); </script> <div class="js-work-strip profile--work_container" data-work-id="124684324"><div class="profile--work_thumbnail hidden-xs"><a class="js-work-strip-work-link" data-click-track="profile-work-strip-thumbnail" rel="nofollow" href="https://www.academia.edu/124684324/Investigation_of_synergistic_actions_of_vitamin_D_on_metformin_and_insulin_in_patients_with_diabetes_mellitus_type_2_A_combined_experimental_and_computational_study_to_control_diabetes"><img alt="Research paper thumbnail of Investigation of synergistic actions of vitamin D on metformin and insulin in patients with diabetes mellitus type 2: A combined experimental and computational study to control diabetes" class="work-thumbnail" src="https://a.academia-assets.com/images/blank-paper.jpg" /></a></div><div class="wp-workCard wp-workCard_itemContainer"><div class="wp-workCard_item wp-workCard--title"><a class="js-work-strip-work-link text-gray-darker" data-click-track="profile-work-strip-title" rel="nofollow" href="https://www.academia.edu/124684324/Investigation_of_synergistic_actions_of_vitamin_D_on_metformin_and_insulin_in_patients_with_diabetes_mellitus_type_2_A_combined_experimental_and_computational_study_to_control_diabetes">Investigation of synergistic actions of vitamin D on metformin and insulin in patients with diabetes mellitus type 2: A combined experimental and computational study to control diabetes</a></div><div class="wp-workCard_item"><span>Journal of diabetes & metabolism</span><span>, Mar 23, 2018</span></div><div class="wp-workCard_item wp-workCard--actions"><span class="work-strip-bookmark-button-container"></span><span class="wp-workCard--action visible-if-viewed-by-owner inline-block" style="display: none;"><span class="js-profile-work-strip-edit-button-wrapper profile-work-strip-edit-button-wrapper" data-work-id="124684324"><a class="js-profile-work-strip-edit-button" tabindex="0"><span><i class="fa fa-pencil"></i></span><span>Edit</span></a></span></span></div><div class="wp-workCard_item wp-workCard--stats"><span><span><span class="js-view-count view-count u-mr2x" data-work-id="124684324"><i class="fa fa-spinner fa-spin"></i></span><script>$(function () { var workId = 124684324; 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$(this).data('initialized', true); } }); $a.trackClickSource(".js-work-strip-work-link", "profile_work_strip") }); </script> <div class="js-work-strip profile--work_container" data-work-id="124684321"><div class="profile--work_thumbnail hidden-xs"><a class="js-work-strip-work-link" data-click-track="profile-work-strip-thumbnail" rel="nofollow" href="https://www.academia.edu/124684321/The_Lack_of_Fam83h_Mediated_Reduction_of_Wnt_%CE%92_Catenin_Signaling_Pathway_and_Expression_Levels_of_Dental_Mineralization_Genes"><img alt="Research paper thumbnail of The Lack of Fam83h Mediated Reduction of Wnt/Β-Catenin Signaling Pathway and Expression Levels of Dental Mineralization Genes" class="work-thumbnail" src="https://a.academia-assets.com/images/blank-paper.jpg" /></a></div><div class="wp-workCard wp-workCard_itemContainer"><div class="wp-workCard_item wp-workCard--title"><a class="js-work-strip-work-link text-gray-darker" data-click-track="profile-work-strip-title" rel="nofollow" href="https://www.academia.edu/124684321/The_Lack_of_Fam83h_Mediated_Reduction_of_Wnt_%CE%92_Catenin_Signaling_Pathway_and_Expression_Levels_of_Dental_Mineralization_Genes">The Lack of Fam83h Mediated Reduction of Wnt/Β-Catenin Signaling Pathway and Expression Levels of Dental Mineralization Genes</a></div><div class="wp-workCard_item"><span class="js-work-more-abstract-truncated">The authors have requested that this preprint be removed from Research Square.</span></div><div class="wp-workCard_item wp-workCard--actions"><span class="work-strip-bookmark-button-container"></span><span class="wp-workCard--action visible-if-viewed-by-owner inline-block" style="display: none;"><span class="js-profile-work-strip-edit-button-wrapper profile-work-strip-edit-button-wrapper" data-work-id="124684321"><a class="js-profile-work-strip-edit-button" tabindex="0"><span><i class="fa fa-pencil"></i></span><span>Edit</span></a></span></span></div><div class="wp-workCard_item wp-workCard--stats"><span><span><span class="js-view-count view-count u-mr2x" data-work-id="124684321"><i class="fa fa-spinner fa-spin"></i></span><script>$(function () { var workId = 124684321; window.Academia.workViewCountsFetcher.queue(workId, function (count) { var description = window.$h.commaizeInt(count) + " " + window.$h.pluralize(count, 'View'); $(".js-view-count[data-work-id=124684321]").text(description); $(".js-view-count[data-work-id=124684321]").attr('title', description).tooltip(); }); });</script></span></span><span><span class="percentile-widget hidden"><span class="u-mr2x work-percentile"></span></span><script>$(function () { var workId = 124684321; window.Academia.workPercentilesFetcher.queue(workId, function (percentileText) { var container = $(".js-work-strip[data-work-id='124684321']"); container.find('.work-percentile').text(percentileText.charAt(0).toUpperCase() + percentileText.slice(1)); container.find('.percentile-widget').show(); container.find('.percentile-widget').removeClass('hidden'); }); });</script></span></div><div id="work-strip-premium-row-container"></div></div></div><script> require.config({ waitSeconds: 90 })(["https://a.academia-assets.com/assets/wow_profile-a9bf3a2bc8c89fa2a77156577594264ee8a0f214d74241bc0fcd3f69f8d107ac.js","https://a.academia-assets.com/assets/work_edit-ad038b8c047c1a8d4fa01b402d530ff93c45fee2137a149a4a5398bc8ad67560.js"], function() { // from javascript_helper.rb var dispatcherData = {} if (false){ window.WowProfile.dispatcher = window.WowProfile.dispatcher || _.clone(Backbone.Events); 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</script> <div class="js-work-strip profile--work_container" data-work-id="124684319"><div class="profile--work_thumbnail hidden-xs"><a class="js-work-strip-work-link" data-click-track="profile-work-strip-thumbnail" rel="nofollow" href="https://www.academia.edu/124684319/Covalent_Antiviral_Agents"><img alt="Research paper thumbnail of Covalent Antiviral Agents" class="work-thumbnail" src="https://a.academia-assets.com/images/blank-paper.jpg" /></a></div><div class="wp-workCard wp-workCard_itemContainer"><div class="wp-workCard_item wp-workCard--title"><a class="js-work-strip-work-link text-gray-darker" data-click-track="profile-work-strip-title" rel="nofollow" href="https://www.academia.edu/124684319/Covalent_Antiviral_Agents">Covalent Antiviral Agents</a></div><div class="wp-workCard_item"><span>Advances in experimental medicine and biology</span><span>, 2021</span></div><div class="wp-workCard_item"><span class="js-work-more-abstract-truncated">Nowadays, many viral infections have emerged and are taking a huge toll on human lives globally. ...</span><a class="js-work-more-abstract" data-broccoli-component="work_strip.more_abstract" data-click-track="profile-work-strip-more-abstract" href="javascript:;"><span> more </span><span><i class="fa fa-caret-down"></i></span></a><span class="js-work-more-abstract-untruncated hidden">Nowadays, many viral infections have emerged and are taking a huge toll on human lives globally. Meanwhile, viral resistance to current drugs has drastically increased. Hence, there is a pressing need to design potent broad-spectrum antiviral agents to treat a variety of viral infections and overcome viral resistance. Covalent inhibitors have the potential to achieve both goals owing to their biochemical efficiency, prolonged duration of action, and the capability to inhibit shallow, solvent-exposed substrate-binding domains. In this chapter, we review the structures, activities, and inhibition mechanisms of covalent inhibitors against severe acute respiratory syndrome coronavirus 2, dengue virus, enterovirus, hepatitis C virus, human immunodeficiency virus, and influenza viruses. We also discuss the application of in silico study in covalent inhibitor design.</span></div><div class="wp-workCard_item wp-workCard--actions"><span class="work-strip-bookmark-button-container"></span><span class="wp-workCard--action visible-if-viewed-by-owner inline-block" style="display: none;"><span class="js-profile-work-strip-edit-button-wrapper profile-work-strip-edit-button-wrapper" data-work-id="124684319"><a class="js-profile-work-strip-edit-button" tabindex="0"><span><i class="fa fa-pencil"></i></span><span>Edit</span></a></span></span></div><div class="wp-workCard_item wp-workCard--stats"><span><span><span class="js-view-count view-count u-mr2x" data-work-id="124684319"><i class="fa fa-spinner fa-spin"></i></span><script>$(function () { var workId = 124684319; window.Academia.workViewCountsFetcher.queue(workId, function (count) { var description = window.$h.commaizeInt(count) + " " + window.$h.pluralize(count, 'View'); $(".js-view-count[data-work-id=124684319]").text(description); $(".js-view-count[data-work-id=124684319]").attr('title', description).tooltip(); }); });</script></span></span><span><span class="percentile-widget hidden"><span class="u-mr2x work-percentile"></span></span><script>$(function () { var workId = 124684319; window.Academia.workPercentilesFetcher.queue(workId, function (percentileText) { var container = $(".js-work-strip[data-work-id='124684319']"); container.find('.work-percentile').text(percentileText.charAt(0).toUpperCase() + percentileText.slice(1)); container.find('.percentile-widget').show(); container.find('.percentile-widget').removeClass('hidden'); }); });</script></span></div><div id="work-strip-premium-row-container"></div></div></div><script> require.config({ waitSeconds: 90 })(["https://a.academia-assets.com/assets/wow_profile-a9bf3a2bc8c89fa2a77156577594264ee8a0f214d74241bc0fcd3f69f8d107ac.js","https://a.academia-assets.com/assets/work_edit-ad038b8c047c1a8d4fa01b402d530ff93c45fee2137a149a4a5398bc8ad67560.js"], function() { // from javascript_helper.rb var dispatcherData = {} if (false){ window.WowProfile.dispatcher = window.WowProfile.dispatcher || _.clone(Backbone.Events); dispatcherData = { dispatcher: window.WowProfile.dispatcher, downloadLinkId: "-1" } } $('.js-work-strip[data-work-id=124684319]').each(function() { if (!$(this).data('initialized')) { new WowProfile.WorkStripView({ el: this, workJSON: {"id":124684319,"title":"Covalent Antiviral Agents","internal_url":"https://www.academia.edu/124684319/Covalent_Antiviral_Agents","owner_id":26655805,"coauthors_can_edit":true,"owner":{"id":26655805,"first_name":"Sako","middle_initials":null,"last_name":"Mirzaie","page_name":"SakoMirzaie","domain_name":"iausdj","created_at":"2015-02-23T04:43:44.973-08:00","display_name":"Sako Mirzaie","url":"https://iausdj.academia.edu/SakoMirzaie"},"attachments":[]}, dispatcherData: dispatcherData }); $(this).data('initialized', true); } }); $a.trackClickSource(".js-work-strip-work-link", "profile_work_strip") }); </script> <div class="js-work-strip profile--work_container" data-work-id="124684316"><div class="profile--work_thumbnail hidden-xs"><a class="js-work-strip-work-link" data-click-track="profile-work-strip-thumbnail" href="https://www.academia.edu/124684316/Novel_potential_inhibitor_discovery_against_tyrosyl_tRNA_synthetase_from_Staphylococcus_aureus_by_virtual_screening_molecular_dynamics_MMPBSA_and_QMMM_simulations"><img alt="Research paper thumbnail of Novel potential inhibitor discovery against tyrosyl-tRNA synthetase from Staphylococcus aureus by virtual screening, molecular dynamics, MMPBSA and QMMM simulations" class="work-thumbnail" src="https://attachments.academia-assets.com/118864602/thumbnails/1.jpg" /></a></div><div class="wp-workCard wp-workCard_itemContainer"><div class="wp-workCard_item wp-workCard--title"><a class="js-work-strip-work-link text-gray-darker" data-click-track="profile-work-strip-title" href="https://www.academia.edu/124684316/Novel_potential_inhibitor_discovery_against_tyrosyl_tRNA_synthetase_from_Staphylococcus_aureus_by_virtual_screening_molecular_dynamics_MMPBSA_and_QMMM_simulations">Novel potential inhibitor discovery against tyrosyl-tRNA synthetase from Staphylococcus aureus by virtual screening, molecular dynamics, MMPBSA and QMMM simulations</a></div><div class="wp-workCard_item"><span>Molecular Simulation</span><span>, 2020</span></div><div class="wp-workCard_item"><span class="js-work-more-abstract-truncated">The abuse and overuse of antibiotics is the main responsible for the raising antibiotic resistanc...</span><a class="js-work-more-abstract" data-broccoli-component="work_strip.more_abstract" data-click-track="profile-work-strip-more-abstract" href="javascript:;"><span> more </span><span><i class="fa fa-caret-down"></i></span></a><span class="js-work-more-abstract-untruncated hidden">The abuse and overuse of antibiotics is the main responsible for the raising antibiotic resistance among bacteria and as a consequence the of diseases severity and treatment complications. Staphylococcus aureus (S. aureus) can cause severe bloodstream infection, endocarditis and skin infection with an annual incidence of twenty-six cases per one hundred thousand people and approximately 30% of them are lethal. Among the different and diverse resistance mechanisms, S. aureus enzyme tyrosyl-tRNA synthetase (YRS) was selected as emerging target to be employed to the state of the art computeraided drug design. At this regard, a library including the 15,387 chemicals from the Zinc database was screened by means of AutoDock Vina software. The selected hit (ZINC59675144), upon its docking binding energy and comparison with the positive control (SB284485), was subjected to molecular dynamics (MD) simulation. Following the MD, the physico-chemical parameters of the free or inhibitorbound YRS complexes were analyzed and discussed. Our molecular modelling investigation, along with QM/MM studies, suggests that ZINC59675144 has impressive properties as a potential inhibitor of YRS, and also can be utilised as lead compound for further improvements. In addition, the ADME analysis displayed that whole physicochemical characteristics are compatible for human administration.</span></div><div class="wp-workCard_item wp-workCard--actions"><span class="work-strip-bookmark-button-container"></span><a id="48bbbd5a7c4cf9ca5181a6d99b40368e" class="wp-workCard--action" rel="nofollow" data-click-track="profile-work-strip-download" data-download="{"attachment_id":118864602,"asset_id":124684316,"asset_type":"Work","button_location":"profile"}" href="https://www.academia.edu/attachments/118864602/download_file?s=profile"><span><i class="fa fa-arrow-down"></i></span><span>Download</span></a><span class="wp-workCard--action visible-if-viewed-by-owner inline-block" style="display: none;"><span class="js-profile-work-strip-edit-button-wrapper profile-work-strip-edit-button-wrapper" data-work-id="124684316"><a class="js-profile-work-strip-edit-button" tabindex="0"><span><i class="fa fa-pencil"></i></span><span>Edit</span></a></span></span></div><div class="wp-workCard_item wp-workCard--stats"><span><span><span class="js-view-count view-count u-mr2x" data-work-id="124684316"><i class="fa fa-spinner fa-spin"></i></span><script>$(function () { var workId = 124684316; window.Academia.workViewCountsFetcher.queue(workId, function (count) { var description = window.$h.commaizeInt(count) + " " + window.$h.pluralize(count, 'View'); $(".js-view-count[data-work-id=124684316]").text(description); $(".js-view-count[data-work-id=124684316]").attr('title', description).tooltip(); }); });</script></span></span><span><span class="percentile-widget hidden"><span class="u-mr2x work-percentile"></span></span><script>$(function () { var workId = 124684316; window.Academia.workPercentilesFetcher.queue(workId, function (percentileText) { var container = $(".js-work-strip[data-work-id='124684316']"); container.find('.work-percentile').text(percentileText.charAt(0).toUpperCase() + percentileText.slice(1)); container.find('.percentile-widget').show(); container.find('.percentile-widget').removeClass('hidden'); }); });</script></span></div><div id="work-strip-premium-row-container"></div></div></div><script> require.config({ waitSeconds: 90 })(["https://a.academia-assets.com/assets/wow_profile-a9bf3a2bc8c89fa2a77156577594264ee8a0f214d74241bc0fcd3f69f8d107ac.js","https://a.academia-assets.com/assets/work_edit-ad038b8c047c1a8d4fa01b402d530ff93c45fee2137a149a4a5398bc8ad67560.js"], function() { // from javascript_helper.rb var dispatcherData = {} if (true){ window.WowProfile.dispatcher = window.WowProfile.dispatcher || _.clone(Backbone.Events); dispatcherData = { dispatcher: window.WowProfile.dispatcher, downloadLinkId: "48bbbd5a7c4cf9ca5181a6d99b40368e" } } $('.js-work-strip[data-work-id=124684316]').each(function() { if (!$(this).data('initialized')) { new WowProfile.WorkStripView({ el: this, workJSON: {"id":124684316,"title":"Novel potential inhibitor discovery against tyrosyl-tRNA synthetase from Staphylococcus aureus by virtual screening, molecular dynamics, MMPBSA and QMMM simulations","internal_url":"https://www.academia.edu/124684316/Novel_potential_inhibitor_discovery_against_tyrosyl_tRNA_synthetase_from_Staphylococcus_aureus_by_virtual_screening_molecular_dynamics_MMPBSA_and_QMMM_simulations","owner_id":26655805,"coauthors_can_edit":true,"owner":{"id":26655805,"first_name":"Sako","middle_initials":null,"last_name":"Mirzaie","page_name":"SakoMirzaie","domain_name":"iausdj","created_at":"2015-02-23T04:43:44.973-08:00","display_name":"Sako Mirzaie","url":"https://iausdj.academia.edu/SakoMirzaie"},"attachments":[{"id":118864602,"title":"","file_type":"pdf","scribd_thumbnail_url":"https://attachments.academia-assets.com/118864602/thumbnails/1.jpg","file_name":"08927022.2020.172691120241013-1-j8irn4.pdf","download_url":"https://www.academia.edu/attachments/118864602/download_file","bulk_download_file_name":"Novel_potential_inhibitor_discovery_agai.pdf","bulk_download_url":"https://d1wqtxts1xzle7.cloudfront.net/118864602/08927022.2020.172691120241013-1-j8irn4-libre.pdf?1728835715=\u0026response-content-disposition=attachment%3B+filename%3DNovel_potential_inhibitor_discovery_agai.pdf\u0026Expires=1740231315\u0026Signature=LoyqpJ-WWC9700cMt~wBFGVIsWJhMTv-8b8QZ36TrbPps0iaVuRE8V7DYpEm9Eht1a~cJ2FAqHSZRZaB2mj5OUDwA3w~ZpA8GOQIyqyxl77~iQGTkZ6s8mF7CVxrY-NfmyZZUmJFwYcZyohmf56ymOBL1YkaE2L-u4fyPw6-CUaEZ4uiteg-bkM-9Kx7-D~ry2CMFt5TcvCOypUQBtP210jStGg8jC-UGt~K9aaEMEIWCmv5-mLmy5SD4ZrujIRmPm9nd7KPfECRMFqGHpGYCQj2UWs2Fff5-xTozMaubOT8PjHZM4uplKerXkBibXdKqOSIZ~QBAdRBg1xAelcT5Q__\u0026Key-Pair-Id=APKAJLOHF5GGSLRBV4ZA"}]}, dispatcherData: dispatcherData }); $(this).data('initialized', true); } }); $a.trackClickSource(".js-work-strip-work-link", "profile_work_strip") }); </script> <div class="js-work-strip profile--work_container" data-work-id="124684313"><div class="profile--work_thumbnail hidden-xs"><a class="js-work-strip-work-link" data-click-track="profile-work-strip-thumbnail" href="https://www.academia.edu/124684313/Designing_new_generation_of_potent_inhibitors_against_membrane_type_matrix_metalloproteinase_2_a_computational_effort_against_multiple_myeloma"><img alt="Research paper thumbnail of Designing new generation of potent inhibitors against membrane-type matrix metalloproteinase-2: a computational effort against multiple myeloma" class="work-thumbnail" src="https://attachments.academia-assets.com/118864599/thumbnails/1.jpg" /></a></div><div class="wp-workCard wp-workCard_itemContainer"><div class="wp-workCard_item wp-workCard--title"><a class="js-work-strip-work-link text-gray-darker" data-click-track="profile-work-strip-title" href="https://www.academia.edu/124684313/Designing_new_generation_of_potent_inhibitors_against_membrane_type_matrix_metalloproteinase_2_a_computational_effort_against_multiple_myeloma">Designing new generation of potent inhibitors against membrane-type matrix metalloproteinase-2: a computational effort against multiple myeloma</a></div><div class="wp-workCard_item"><span>Journal of Biomolecular Structure and Dynamics</span><span>, 2019</span></div><div class="wp-workCard_item"><span class="js-work-more-abstract-truncated">Matrix metalloproteinases (MMPs) play important roles in cancer progression and, despite their in...</span><a class="js-work-more-abstract" data-broccoli-component="work_strip.more_abstract" data-click-track="profile-work-strip-more-abstract" href="javascript:;"><span> more </span><span><i class="fa fa-caret-down"></i></span></a><span class="js-work-more-abstract-untruncated hidden">Matrix metalloproteinases (MMPs) play important roles in cancer progression and, despite their inhibitors have failed in the clinical trials, they have always been considered as suitable targets for the treatment of tumor. We have recently shown that membrane type (MT) 2-MMPs, is selectively expressed in multiple myeloma (MM) cells and mediates the metastatic characteristics of these cells. In this study, we designed efficient inhibitors against MT2-MMP using state-of-art molecular modeling methods. First, the 3D structure of MT2-MMP was predicted. Then the proposed potent inhibitors against two regions of the catalytic domain of MT2-MMP (active site and MT-LOOP) were identified through molecular docking, QM-MM, and molecular dynamics simulations from a set of compounds in Analyticon library, IBS library, Maybridge screening fragment library, and drugbank library. Moreover, ADME estimation showed that pharmacokinetic properties of inhibitors are in the acceptable range for humans. Finally, our data suggested that compounds "structures.722" (dobutamine) and "M2" are suitable candidates to inhibit MT2-MMP for further examination in the laboratory.</span></div><div class="wp-workCard_item wp-workCard--actions"><span class="work-strip-bookmark-button-container"></span><a id="c2a8153d8a1815b558bc90e9d85b10bf" class="wp-workCard--action" rel="nofollow" data-click-track="profile-work-strip-download" data-download="{"attachment_id":118864599,"asset_id":124684313,"asset_type":"Work","button_location":"profile"}" href="https://www.academia.edu/attachments/118864599/download_file?s=profile"><span><i class="fa fa-arrow-down"></i></span><span>Download</span></a><span class="wp-workCard--action visible-if-viewed-by-owner inline-block" style="display: none;"><span class="js-profile-work-strip-edit-button-wrapper profile-work-strip-edit-button-wrapper" data-work-id="124684313"><a class="js-profile-work-strip-edit-button" tabindex="0"><span><i class="fa fa-pencil"></i></span><span>Edit</span></a></span></span></div><div class="wp-workCard_item wp-workCard--stats"><span><span><span class="js-view-count view-count u-mr2x" data-work-id="124684313"><i class="fa fa-spinner fa-spin"></i></span><script>$(function () { var workId = 124684313; window.Academia.workViewCountsFetcher.queue(workId, function (count) { var description = window.$h.commaizeInt(count) + " " + window.$h.pluralize(count, 'View'); $(".js-view-count[data-work-id=124684313]").text(description); $(".js-view-count[data-work-id=124684313]").attr('title', description).tooltip(); }); });</script></span></span><span><span class="percentile-widget hidden"><span class="u-mr2x work-percentile"></span></span><script>$(function () { var workId = 124684313; window.Academia.workPercentilesFetcher.queue(workId, function (percentileText) { var container = $(".js-work-strip[data-work-id='124684313']"); container.find('.work-percentile').text(percentileText.charAt(0).toUpperCase() + percentileText.slice(1)); container.find('.percentile-widget').show(); container.find('.percentile-widget').removeClass('hidden'); }); });</script></span></div><div id="work-strip-premium-row-container"></div></div></div><script> require.config({ waitSeconds: 90 })(["https://a.academia-assets.com/assets/wow_profile-a9bf3a2bc8c89fa2a77156577594264ee8a0f214d74241bc0fcd3f69f8d107ac.js","https://a.academia-assets.com/assets/work_edit-ad038b8c047c1a8d4fa01b402d530ff93c45fee2137a149a4a5398bc8ad67560.js"], function() { // from javascript_helper.rb var dispatcherData = {} if (true){ window.WowProfile.dispatcher = window.WowProfile.dispatcher || _.clone(Backbone.Events); dispatcherData = { dispatcher: window.WowProfile.dispatcher, downloadLinkId: "c2a8153d8a1815b558bc90e9d85b10bf" } } $('.js-work-strip[data-work-id=124684313]').each(function() { if (!$(this).data('initialized')) { new WowProfile.WorkStripView({ el: this, workJSON: {"id":124684313,"title":"Designing new generation of potent inhibitors against membrane-type matrix metalloproteinase-2: a computational effort against multiple myeloma","internal_url":"https://www.academia.edu/124684313/Designing_new_generation_of_potent_inhibitors_against_membrane_type_matrix_metalloproteinase_2_a_computational_effort_against_multiple_myeloma","owner_id":26655805,"coauthors_can_edit":true,"owner":{"id":26655805,"first_name":"Sako","middle_initials":null,"last_name":"Mirzaie","page_name":"SakoMirzaie","domain_name":"iausdj","created_at":"2015-02-23T04:43:44.973-08:00","display_name":"Sako Mirzaie","url":"https://iausdj.academia.edu/SakoMirzaie"},"attachments":[{"id":118864599,"title":"","file_type":"pdf","scribd_thumbnail_url":"https://attachments.academia-assets.com/118864599/thumbnails/1.jpg","file_name":"07391102.2019.167073620241013-1-xim2ib.pdf","download_url":"https://www.academia.edu/attachments/118864599/download_file","bulk_download_file_name":"Designing_new_generation_of_potent_inhib.pdf","bulk_download_url":"https://d1wqtxts1xzle7.cloudfront.net/118864599/07391102.2019.167073620241013-1-xim2ib-libre.pdf?1728835715=\u0026response-content-disposition=attachment%3B+filename%3DDesigning_new_generation_of_potent_inhib.pdf\u0026Expires=1740231315\u0026Signature=KX7eSirEeadSrsECcWwBnpne6XUZrVQQw1nATeAfhNJk6vyTAio6DIXNKpCcKr7s6~3eVnYZu28eRvGadh3QulutlKaMDnf9BEkxUCbTXEPC5idG1zN4VcEb1Y2JwphJV7v8Eyutc-a7b59tzLxHK2n0gEeEG7AFN5UHv1KYttmqAR5aXc6ZNHl5uZRaOvT2sRnT6HaoQk2fZsb1Vs1WHlD6Lnw8FgN5iPznClxuxioDh2sELJNZa8~Pb4kFtw9UWdJi9u96B3Hc~ehBzGqvZJZTEtW-pFrzwfWw7rwAyd0GxVP-6b-ErEeVo6hyJx9gsyFrAG1boOpT4~M7sgH40Q__\u0026Key-Pair-Id=APKAJLOHF5GGSLRBV4ZA"}]}, dispatcherData: dispatcherData }); $(this).data('initialized', true); } }); $a.trackClickSource(".js-work-strip-work-link", "profile_work_strip") }); </script> <div class="js-work-strip profile--work_container" data-work-id="124684312"><div class="profile--work_thumbnail hidden-xs"><a class="js-work-strip-work-link" data-click-track="profile-work-strip-thumbnail" href="https://www.academia.edu/124684312/Vitamin_D_as_a_modulating_agent_of_metformin_and_insulin_in_patients_with_type_2_diabetes"><img alt="Research paper thumbnail of Vitamin D as a modulating agent of metformin and insulin in patients with type 2 diabetes" class="work-thumbnail" src="https://attachments.academia-assets.com/118864598/thumbnails/1.jpg" /></a></div><div class="wp-workCard wp-workCard_itemContainer"><div class="wp-workCard_item wp-workCard--title"><a class="js-work-strip-work-link text-gray-darker" data-click-track="profile-work-strip-title" href="https://www.academia.edu/124684312/Vitamin_D_as_a_modulating_agent_of_metformin_and_insulin_in_patients_with_type_2_diabetes">Vitamin D as a modulating agent of metformin and insulin in patients with type 2 diabetes</a></div><div class="wp-workCard_item"><span>Journal of Research in Pharmacy</span><span>, 2019</span></div><div class="wp-workCard_item"><span class="js-work-more-abstract-truncated">Diabetes, which is one of the most important health challenges for humankind, is associated with ...</span><a class="js-work-more-abstract" data-broccoli-component="work_strip.more_abstract" data-click-track="profile-work-strip-more-abstract" href="javascript:;"><span> more </span><span><i class="fa fa-caret-down"></i></span></a><span class="js-work-more-abstract-untruncated hidden">Diabetes, which is one of the most important health challenges for humankind, is associated with impaired glucose metabolism. Diabetes mellitus (DM) includes two major types of diabetes, type 1 (T1DM) and type 2 (T2DM). In this study, in the beginning, interventional and experimental studies were performed on 45 patients with T2DM, and the modulating effects of vitamin D were evaluated on the biochemical parameters of patients with the restricted diet, consuming metformin or insulin. With regard to our experimental results, the combination treatment of metformin/ vitamin D or insulin/ vitamin D can reduce the fasting blood sugar (FBS). A combination of vitamin D with insulin decreases the insulin resistance and raises the insulin sensitivity in patients with T2DM. The combination treatment of vitamin D and metformin led to a decrease in the level of mRNA of GLUT4, and also it's trafficking from the cytosol to the plasma membrane. At the second phase of the present study, molecular dynamics (MD), molecular docking, MM/PBSA, and QM/MM were occupied to examine the structural behavior of VDR, in the free or ligand bound state, during 50 ns. The MD results exhibited that in the presence of metformin, the flexibility of residues comprising helix 12 from vitamin D-bound VDR was decreased. In addition, metformin decreased the radius of gyration of agonist-bound VDR. In addition, QM/MM results showed that metformin diminished the binding free energy between VDR and vitamin D. Our computational data demonstrated that metformin, in the presence of vitamin D, reinforces the interaction between VDR and its co-activator protein.</span></div><div class="wp-workCard_item wp-workCard--actions"><span class="work-strip-bookmark-button-container"></span><a id="5b1f9212fa5999c0837c2770a19385c2" class="wp-workCard--action" rel="nofollow" data-click-track="profile-work-strip-download" data-download="{"attachment_id":118864598,"asset_id":124684312,"asset_type":"Work","button_location":"profile"}" href="https://www.academia.edu/attachments/118864598/download_file?s=profile"><span><i class="fa fa-arrow-down"></i></span><span>Download</span></a><span class="wp-workCard--action visible-if-viewed-by-owner inline-block" style="display: none;"><span class="js-profile-work-strip-edit-button-wrapper profile-work-strip-edit-button-wrapper" data-work-id="124684312"><a class="js-profile-work-strip-edit-button" tabindex="0"><span><i class="fa fa-pencil"></i></span><span>Edit</span></a></span></span></div><div class="wp-workCard_item wp-workCard--stats"><span><span><span class="js-view-count view-count u-mr2x" data-work-id="124684312"><i class="fa fa-spinner fa-spin"></i></span><script>$(function () { var workId = 124684312; window.Academia.workViewCountsFetcher.queue(workId, function (count) { var description = window.$h.commaizeInt(count) + " " + window.$h.pluralize(count, 'View'); $(".js-view-count[data-work-id=124684312]").text(description); $(".js-view-count[data-work-id=124684312]").attr('title', description).tooltip(); }); });</script></span></span><span><span class="percentile-widget hidden"><span class="u-mr2x work-percentile"></span></span><script>$(function () { var workId = 124684312; window.Academia.workPercentilesFetcher.queue(workId, function (percentileText) { var container = $(".js-work-strip[data-work-id='124684312']"); container.find('.work-percentile').text(percentileText.charAt(0).toUpperCase() + percentileText.slice(1)); container.find('.percentile-widget').show(); container.find('.percentile-widget').removeClass('hidden'); }); });</script></span></div><div id="work-strip-premium-row-container"></div></div></div><script> require.config({ waitSeconds: 90 })(["https://a.academia-assets.com/assets/wow_profile-a9bf3a2bc8c89fa2a77156577594264ee8a0f214d74241bc0fcd3f69f8d107ac.js","https://a.academia-assets.com/assets/work_edit-ad038b8c047c1a8d4fa01b402d530ff93c45fee2137a149a4a5398bc8ad67560.js"], function() { // from javascript_helper.rb var dispatcherData = {} if (true){ window.WowProfile.dispatcher = window.WowProfile.dispatcher || _.clone(Backbone.Events); dispatcherData = { dispatcher: window.WowProfile.dispatcher, downloadLinkId: "5b1f9212fa5999c0837c2770a19385c2" } } $('.js-work-strip[data-work-id=124684312]').each(function() { if (!$(this).data('initialized')) { new WowProfile.WorkStripView({ el: this, workJSON: {"id":124684312,"title":"Vitamin D as a modulating agent of metformin and insulin in patients with type 2 diabetes","internal_url":"https://www.academia.edu/124684312/Vitamin_D_as_a_modulating_agent_of_metformin_and_insulin_in_patients_with_type_2_diabetes","owner_id":26655805,"coauthors_can_edit":true,"owner":{"id":26655805,"first_name":"Sako","middle_initials":null,"last_name":"Mirzaie","page_name":"SakoMirzaie","domain_name":"iausdj","created_at":"2015-02-23T04:43:44.973-08:00","display_name":"Sako Mirzaie","url":"https://iausdj.academia.edu/SakoMirzaie"},"attachments":[{"id":118864598,"title":"","file_type":"pdf","scribd_thumbnail_url":"https://attachments.academia-assets.com/118864598/thumbnails/1.jpg","file_name":"pdf.pdf","download_url":"https://www.academia.edu/attachments/118864598/download_file","bulk_download_file_name":"Vitamin_D_as_a_modulating_agent_of_metfo.pdf","bulk_download_url":"https://d1wqtxts1xzle7.cloudfront.net/118864598/pdf-libre.pdf?1728835705=\u0026response-content-disposition=attachment%3B+filename%3DVitamin_D_as_a_modulating_agent_of_metfo.pdf\u0026Expires=1740231315\u0026Signature=X93yK7kILTozNzleFXmhntVbavGnzrSslPUrqt26MY8En1QQ-6OsywsFRJf4nrHp4O~vHIcAXPjBp5aWzZflSWTxtuWcFHKIl01BJcE5HNs-6amVL~AhudYLvMzbstFGgAzYvEkm15LopSr~7RvOP3YMqLoYijxuRQImAg2i30C9bVZcYCcPexhVaORyTn7GaXbc6E1r5KB1aKJpqPSIT3f8FiUNe~xL0WJf4bvW7lb2NbUwzxaKk0ei4QXL19rlEVnEFpvumeZ~ZODLfVj5uW8OY~ZVu3TIO-OxhtWeed1eAagp8YVjKeWvufmzjenhYKHMpnf-yWIQwOgHqytj-Q__\u0026Key-Pair-Id=APKAJLOHF5GGSLRBV4ZA"}]}, dispatcherData: dispatcherData }); $(this).data('initialized', true); } }); $a.trackClickSource(".js-work-strip-work-link", "profile_work_strip") }); </script> <div class="js-work-strip profile--work_container" data-work-id="124684311"><div class="profile--work_thumbnail hidden-xs"><a class="js-work-strip-work-link" data-click-track="profile-work-strip-thumbnail" href="https://www.academia.edu/124684311/Selective_reduction_in_glutaminase_activity_of_l_Asparaginase_by_asparagine_248_to_serine_mutation_A_combined_computational_and_experimental_effort_in_blood_cancer_treatment"><img alt="Research paper thumbnail of Selective reduction in glutaminase activity of l‑Asparaginase by asparagine 248 to serine mutation: A combined computational and experimental effort in blood cancer treatment" class="work-thumbnail" src="https://attachments.academia-assets.com/118864596/thumbnails/1.jpg" /></a></div><div class="wp-workCard wp-workCard_itemContainer"><div class="wp-workCard_item wp-workCard--title"><a class="js-work-strip-work-link text-gray-darker" data-click-track="profile-work-strip-title" href="https://www.academia.edu/124684311/Selective_reduction_in_glutaminase_activity_of_l_Asparaginase_by_asparagine_248_to_serine_mutation_A_combined_computational_and_experimental_effort_in_blood_cancer_treatment">Selective reduction in glutaminase activity of l‑Asparaginase by asparagine 248 to serine mutation: A combined computational and experimental effort in blood cancer treatment</a></div><div class="wp-workCard_item"><span>International Journal of Biological Macromolecules</span><span>, 2018</span></div><div class="wp-workCard_item"><span class="js-work-more-abstract-truncated">Type II L-asparaginase (L-ASNase) is an FDA approved enzyme drug with extensive applications for ...</span><a class="js-work-more-abstract" data-broccoli-component="work_strip.more_abstract" data-click-track="profile-work-strip-more-abstract" href="javascript:;"><span> more </span><span><i class="fa fa-caret-down"></i></span></a><span class="js-work-more-abstract-untruncated hidden">Type II L-asparaginase (L-ASNase) is an FDA approved enzyme drug with extensive applications for treatment of certain blood cancers. However, the therapeutic efficiency of this enzyme is hampered by its undesirable glutaminase activity. Given the pivotal role of this enzyme against cancer, designing engineered mutants with diminished glutaminase activity would be of great therapeutic interest. To this end, N248S mutation was selected as the potential mutation with beneficial effects. Various in silico analyses including MD simulation, molecular docking and QMMM studies were performed to assess the effects of N248S mutation on the activity of the enzyme. Thereafter, this mutation along with N248A, N248V and N248T mutations as controls were exerted in L-ASNase gene. The results from in silico analyses and experimental efforts indicated that N248S mutation is associated with the suitable L-ASNase activity, while the glutaminase activity is disturbed due to impaired interactions. It has been shown that glutamine turnover was affected much more strongly than asparagine hydrolysis. The approach of exploiting in silico tools to design mutated enzymes lead to staggering time and cost reduction. Following this strategy, we have designed a mutant L-ASNase with diminished glutaminase activity, which could be of interest for improved biomedical applications.</span></div><div class="wp-workCard_item wp-workCard--actions"><span class="work-strip-bookmark-button-container"></span><a id="3f5eac8a1b13a9cf0f1e07cd8b49189c" class="wp-workCard--action" rel="nofollow" data-click-track="profile-work-strip-download" data-download="{"attachment_id":118864596,"asset_id":124684311,"asset_type":"Work","button_location":"profile"}" href="https://www.academia.edu/attachments/118864596/download_file?s=profile"><span><i class="fa fa-arrow-down"></i></span><span>Download</span></a><span class="wp-workCard--action visible-if-viewed-by-owner inline-block" style="display: none;"><span class="js-profile-work-strip-edit-button-wrapper profile-work-strip-edit-button-wrapper" data-work-id="124684311"><a class="js-profile-work-strip-edit-button" tabindex="0"><span><i class="fa fa-pencil"></i></span><span>Edit</span></a></span></span></div><div class="wp-workCard_item wp-workCard--stats"><span><span><span class="js-view-count view-count u-mr2x" data-work-id="124684311"><i class="fa fa-spinner fa-spin"></i></span><script>$(function () { var workId = 124684311; 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$(this).data('initialized', true); } }); $a.trackClickSource(".js-work-strip-work-link", "profile_work_strip") }); </script> <div class="js-work-strip profile--work_container" data-work-id="124684310"><div class="profile--work_thumbnail hidden-xs"><a class="js-work-strip-work-link" data-click-track="profile-work-strip-thumbnail" href="https://www.academia.edu/124684310/Design_synthesis_and_biological_profile_of_mixed_opioid_agonist_N_VGCC_blocker_peptides"><img alt="Research paper thumbnail of Design, synthesis and biological profile of mixed opioid agonist/N-VGCC blocker peptides" class="work-thumbnail" src="https://attachments.academia-assets.com/118864597/thumbnails/1.jpg" /></a></div><div class="wp-workCard wp-workCard_itemContainer"><div class="wp-workCard_item wp-workCard--title"><a class="js-work-strip-work-link text-gray-darker" data-click-track="profile-work-strip-title" href="https://www.academia.edu/124684310/Design_synthesis_and_biological_profile_of_mixed_opioid_agonist_N_VGCC_blocker_peptides">Design, synthesis and biological profile of mixed opioid agonist/N-VGCC blocker peptides</a></div><div class="wp-workCard_item"><span>New Journal of Chemistry</span><span>, 2018</span></div><div class="wp-workCard_item"><span class="js-work-more-abstract-truncated">Novel mixed opioid agonist/N-VGCC blocker peptides, design, synthesis and biological profile.</span></div><div class="wp-workCard_item wp-workCard--actions"><span class="work-strip-bookmark-button-container"></span><a id="3a79bd70b159d95ab8cc1411b7536aba" class="wp-workCard--action" rel="nofollow" data-click-track="profile-work-strip-download" data-download="{"attachment_id":118864597,"asset_id":124684310,"asset_type":"Work","button_location":"profile"}" href="https://www.academia.edu/attachments/118864597/download_file?s=profile"><span><i class="fa fa-arrow-down"></i></span><span>Download</span></a><span class="wp-workCard--action visible-if-viewed-by-owner inline-block" style="display: none;"><span class="js-profile-work-strip-edit-button-wrapper profile-work-strip-edit-button-wrapper" data-work-id="124684310"><a class="js-profile-work-strip-edit-button" tabindex="0"><span><i class="fa fa-pencil"></i></span><span>Edit</span></a></span></span></div><div class="wp-workCard_item wp-workCard--stats"><span><span><span class="js-view-count view-count u-mr2x" data-work-id="124684310"><i class="fa fa-spinner fa-spin"></i></span><script>$(function () { var workId = 124684310; 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dispatcherData = { dispatcher: window.WowProfile.dispatcher, downloadLinkId: "3a79bd70b159d95ab8cc1411b7536aba" } } $('.js-work-strip[data-work-id=124684310]').each(function() { if (!$(this).data('initialized')) { new WowProfile.WorkStripView({ el: this, workJSON: {"id":124684310,"title":"Design, synthesis and biological profile of mixed opioid agonist/N-VGCC blocker peptides","internal_url":"https://www.academia.edu/124684310/Design_synthesis_and_biological_profile_of_mixed_opioid_agonist_N_VGCC_blocker_peptides","owner_id":26655805,"coauthors_can_edit":true,"owner":{"id":26655805,"first_name":"Sako","middle_initials":null,"last_name":"Mirzaie","page_name":"SakoMirzaie","domain_name":"iausdj","created_at":"2015-02-23T04:43:44.973-08:00","display_name":"Sako Mirzaie","url":"https://iausdj.academia.edu/SakoMirzaie"},"attachments":[{"id":118864597,"title":"","file_type":"pdf","scribd_thumbnail_url":"https://attachments.academia-assets.com/118864597/thumbnails/1.jpg","file_name":"bb84fbe01cfa0f10f2c9e330ed9ee7966efd.pdf","download_url":"https://www.academia.edu/attachments/118864597/download_file","bulk_download_file_name":"Design_synthesis_and_biological_profile.pdf","bulk_download_url":"https://d1wqtxts1xzle7.cloudfront.net/118864597/bb84fbe01cfa0f10f2c9e330ed9ee7966efd-libre.pdf?1728835694=\u0026response-content-disposition=attachment%3B+filename%3DDesign_synthesis_and_biological_profile.pdf\u0026Expires=1740231315\u0026Signature=Dnaz8MVCT2NngUrg-nP7I-FrIO0UMVumVWkLmwW4gGn-2yKPLKw~b3DWAPOpNEwtxK0-gGzWEQ55ogpTWa0JGNQQF8QRMN7mx7KupLHgz8VzhA9L2sJ6F~yBlXdRAHovSr49TddWPzP7UxGQ2K8kH3GEmy4fWxvhsKhDUOnG3rMfpZ3R3BNylQmFQ77E7hLygpc0AxBiN86~pREDtcAOEWXn5f7rooL4jKGlI83ZoeQ02Eek0ITgfvRP8x7iS16sbER7AnQ~eKx7kaGliqdqiwLYLK~j~eM47XrSipScEom4T9bbGcemlLe~jRmfh3dCVBg7zhHRxpoWwWpAkiWnOA__\u0026Key-Pair-Id=APKAJLOHF5GGSLRBV4ZA"}]}, dispatcherData: dispatcherData }); $(this).data('initialized', true); } }); $a.trackClickSource(".js-work-strip-work-link", "profile_work_strip") }); </script> <div class="js-work-strip profile--work_container" data-work-id="124684309"><div class="profile--work_thumbnail hidden-xs"><a class="js-work-strip-work-link" data-click-track="profile-work-strip-thumbnail" rel="nofollow" href="https://www.academia.edu/124684309/Discovery_of_novel_amide_tripeptides_as_pancreatic_lipase_inhibitors_by_virtual_screening"><img alt="Research paper thumbnail of Discovery of novel amide tripeptides as pancreatic lipase inhibitors by virtual screening" class="work-thumbnail" src="https://a.academia-assets.com/images/blank-paper.jpg" /></a></div><div class="wp-workCard wp-workCard_itemContainer"><div class="wp-workCard_item wp-workCard--title"><a class="js-work-strip-work-link text-gray-darker" data-click-track="profile-work-strip-title" rel="nofollow" href="https://www.academia.edu/124684309/Discovery_of_novel_amide_tripeptides_as_pancreatic_lipase_inhibitors_by_virtual_screening">Discovery of novel amide tripeptides as pancreatic lipase inhibitors by virtual screening</a></div><div class="wp-workCard_item"><span>New Journal of Chemistry</span><span>, 2019</span></div><div class="wp-workCard_item"><span class="js-work-more-abstract-truncated">A virtual screening workflow for the discovery of pancreatic lipase inhibitors.</span></div><div class="wp-workCard_item wp-workCard--actions"><span class="work-strip-bookmark-button-container"></span><span class="wp-workCard--action visible-if-viewed-by-owner inline-block" style="display: none;"><span class="js-profile-work-strip-edit-button-wrapper profile-work-strip-edit-button-wrapper" data-work-id="124684309"><a class="js-profile-work-strip-edit-button" tabindex="0"><span><i class="fa fa-pencil"></i></span><span>Edit</span></a></span></span></div><div class="wp-workCard_item wp-workCard--stats"><span><span><span class="js-view-count view-count u-mr2x" data-work-id="124684309"><i class="fa fa-spinner fa-spin"></i></span><script>$(function () { var workId = 124684309; window.Academia.workViewCountsFetcher.queue(workId, function (count) { var description = window.$h.commaizeInt(count) + " " + window.$h.pluralize(count, 'View'); $(".js-view-count[data-work-id=124684309]").text(description); $(".js-view-count[data-work-id=124684309]").attr('title', description).tooltip(); }); });</script></span></span><span><span class="percentile-widget hidden"><span class="u-mr2x work-percentile"></span></span><script>$(function () { var workId = 124684309; window.Academia.workPercentilesFetcher.queue(workId, function (percentileText) { var container = $(".js-work-strip[data-work-id='124684309']"); container.find('.work-percentile').text(percentileText.charAt(0).toUpperCase() + percentileText.slice(1)); container.find('.percentile-widget').show(); container.find('.percentile-widget').removeClass('hidden'); }); });</script></span></div><div id="work-strip-premium-row-container"></div></div></div><script> require.config({ waitSeconds: 90 })(["https://a.academia-assets.com/assets/wow_profile-a9bf3a2bc8c89fa2a77156577594264ee8a0f214d74241bc0fcd3f69f8d107ac.js","https://a.academia-assets.com/assets/work_edit-ad038b8c047c1a8d4fa01b402d530ff93c45fee2137a149a4a5398bc8ad67560.js"], function() { // from javascript_helper.rb var dispatcherData = {} if (false){ window.WowProfile.dispatcher = window.WowProfile.dispatcher || _.clone(Backbone.Events); dispatcherData = { dispatcher: window.WowProfile.dispatcher, downloadLinkId: "-1" } } $('.js-work-strip[data-work-id=124684309]').each(function() { if (!$(this).data('initialized')) { new WowProfile.WorkStripView({ el: this, workJSON: {"id":124684309,"title":"Discovery of novel amide tripeptides as pancreatic lipase inhibitors by virtual screening","internal_url":"https://www.academia.edu/124684309/Discovery_of_novel_amide_tripeptides_as_pancreatic_lipase_inhibitors_by_virtual_screening","owner_id":26655805,"coauthors_can_edit":true,"owner":{"id":26655805,"first_name":"Sako","middle_initials":null,"last_name":"Mirzaie","page_name":"SakoMirzaie","domain_name":"iausdj","created_at":"2015-02-23T04:43:44.973-08:00","display_name":"Sako Mirzaie","url":"https://iausdj.academia.edu/SakoMirzaie"},"attachments":[]}, dispatcherData: dispatcherData }); $(this).data('initialized', true); } }); $a.trackClickSource(".js-work-strip-work-link", "profile_work_strip") }); </script> <div class="js-work-strip profile--work_container" data-work-id="124684308"><div class="profile--work_thumbnail hidden-xs"><a class="js-work-strip-work-link" data-click-track="profile-work-strip-thumbnail" href="https://www.academia.edu/124684308/Chemical_characterization_antioxidant_properties_anti_inflammatory_activity_and_enzyme_inhibition_of_Ipomoea_batatas_L_leaf_extracts"><img alt="Research paper thumbnail of Chemical characterization, antioxidant properties, anti-inflammatory activity, and enzyme inhibition of Ipomoea batatas L. leaf extracts" class="work-thumbnail" src="https://attachments.academia-assets.com/118864594/thumbnails/1.jpg" /></a></div><div class="wp-workCard wp-workCard_itemContainer"><div class="wp-workCard_item wp-workCard--title"><a class="js-work-strip-work-link text-gray-darker" data-click-track="profile-work-strip-title" href="https://www.academia.edu/124684308/Chemical_characterization_antioxidant_properties_anti_inflammatory_activity_and_enzyme_inhibition_of_Ipomoea_batatas_L_leaf_extracts">Chemical characterization, antioxidant properties, anti-inflammatory activity, and enzyme inhibition of Ipomoea batatas L. leaf extracts</a></div><div class="wp-workCard_item"><span>International Journal of Food Properties</span><span>, 2017</span></div><div class="wp-workCard_item"><span class="js-work-more-abstract-truncated">Rutabaga (Brassica napus L.) belonging to Brassicaceae family, is a rich source of polyphenols an...</span><a class="js-work-more-abstract" data-broccoli-component="work_strip.more_abstract" data-click-track="profile-work-strip-more-abstract" href="javascript:;"><span> more </span><span><i class="fa fa-caret-down"></i></span></a><span class="js-work-more-abstract-untruncated hidden">Rutabaga (Brassica napus L.) belonging to Brassicaceae family, is a rich source of polyphenols and glucosinolates. Its consumption in human diet is highly appreciated for its nutritional contribution and health benefits. Brassica napus L. is recognized as the world's most widely grown temperate oilseed crop containing erucic acid for industrial applications, plants germination, animal feed and fuel. In this work we prepared two different extracts of Rutabaga root's pulp and peel, e.g. ultrasound assisted extract (UAE) and homogenizer assisted extract (HAE). The four extracts have been analyzed by HPLC-MS to assess the phytochemical characterization and tested by antioxidant and enzyme inhibitor assays. Rutabaga pulp and peel extracts possess tyrosinase and glucosidase inhibitory activities together with a moderate antioxidant ability. Our results show a high level of glucosinolates, in particular neoglucobrassicin in the peel extract, which let us suppose a potential application as crop in industry and as supplement in human diet.</span></div><div class="wp-workCard_item wp-workCard--actions"><span class="work-strip-bookmark-button-container"></span><a id="739bc155b1f3ce7de8d73378fe13963c" class="wp-workCard--action" rel="nofollow" data-click-track="profile-work-strip-download" data-download="{"attachment_id":118864594,"asset_id":124684308,"asset_type":"Work","button_location":"profile"}" href="https://www.academia.edu/attachments/118864594/download_file?s=profile"><span><i class="fa fa-arrow-down"></i></span><span>Download</span></a><span class="wp-workCard--action visible-if-viewed-by-owner inline-block" style="display: none;"><span class="js-profile-work-strip-edit-button-wrapper profile-work-strip-edit-button-wrapper" data-work-id="124684308"><a class="js-profile-work-strip-edit-button" tabindex="0"><span><i class="fa fa-pencil"></i></span><span>Edit</span></a></span></span></div><div class="wp-workCard_item wp-workCard--stats"><span><span><span class="js-view-count view-count u-mr2x" data-work-id="124684308"><i class="fa fa-spinner fa-spin"></i></span><script>$(function () { var workId = 124684308; window.Academia.workViewCountsFetcher.queue(workId, function (count) { var description = window.$h.commaizeInt(count) + " " + window.$h.pluralize(count, 'View'); $(".js-view-count[data-work-id=124684308]").text(description); $(".js-view-count[data-work-id=124684308]").attr('title', description).tooltip(); }); });</script></span></span><span><span class="percentile-widget hidden"><span class="u-mr2x work-percentile"></span></span><script>$(function () { var workId = 124684308; window.Academia.workPercentilesFetcher.queue(workId, function (percentileText) { var container = $(".js-work-strip[data-work-id='124684308']"); container.find('.work-percentile').text(percentileText.charAt(0).toUpperCase() + percentileText.slice(1)); container.find('.percentile-widget').show(); container.find('.percentile-widget').removeClass('hidden'); }); });</script></span></div><div id="work-strip-premium-row-container"></div></div></div><script> require.config({ waitSeconds: 90 })(["https://a.academia-assets.com/assets/wow_profile-a9bf3a2bc8c89fa2a77156577594264ee8a0f214d74241bc0fcd3f69f8d107ac.js","https://a.academia-assets.com/assets/work_edit-ad038b8c047c1a8d4fa01b402d530ff93c45fee2137a149a4a5398bc8ad67560.js"], function() { // from javascript_helper.rb var dispatcherData = {} if (true){ window.WowProfile.dispatcher = window.WowProfile.dispatcher || _.clone(Backbone.Events); 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$(this).data('initialized', true); } }); $a.trackClickSource(".js-work-strip-work-link", "profile_work_strip") }); </script> <div class="js-work-strip profile--work_container" data-work-id="124684307"><div class="profile--work_thumbnail hidden-xs"><a class="js-work-strip-work-link" data-click-track="profile-work-strip-thumbnail" rel="nofollow" href="https://www.academia.edu/124684307/Arginine_and_Lysine_rich_Peptides_Synthesis_Characterization_and_Antimicrobial_Activity"><img alt="Research paper thumbnail of Arginine- and Lysine-rich Peptides: Synthesis, Characterization and Antimicrobial Activity" class="work-thumbnail" src="https://attachments.academia-assets.com/118864571/thumbnails/1.jpg" /></a></div><div class="wp-workCard wp-workCard_itemContainer"><div class="wp-workCard_item wp-workCard--title"><a class="js-work-strip-work-link text-gray-darker" data-click-track="profile-work-strip-title" rel="nofollow" href="https://www.academia.edu/124684307/Arginine_and_Lysine_rich_Peptides_Synthesis_Characterization_and_Antimicrobial_Activity">Arginine- and Lysine-rich Peptides: Synthesis, Characterization and Antimicrobial Activity</a></div><div class="wp-workCard_item"><span>Letters in Drug Design &amp; Discovery</span><span>, 2018</span></div><div class="wp-workCard_item wp-workCard--actions"><span class="work-strip-bookmark-button-container"></span><a id="54a5dc0ceb25cac09892a2a4742a3b9a" class="wp-workCard--action" rel="nofollow" data-click-track="profile-work-strip-download" data-download="{"attachment_id":118864571,"asset_id":124684307,"asset_type":"Work","button_location":"profile"}" href="https://www.academia.edu/attachments/118864571/download_file?s=profile"><span><i class="fa fa-arrow-down"></i></span><span>Download</span></a><span class="wp-workCard--action visible-if-viewed-by-owner inline-block" style="display: none;"><span class="js-profile-work-strip-edit-button-wrapper profile-work-strip-edit-button-wrapper" data-work-id="124684307"><a class="js-profile-work-strip-edit-button" tabindex="0"><span><i class="fa fa-pencil"></i></span><span>Edit</span></a></span></span></div><div class="wp-workCard_item wp-workCard--stats"><span><span><span class="js-view-count view-count u-mr2x" data-work-id="124684307"><i class="fa fa-spinner fa-spin"></i></span><script>$(function () { var workId = 124684307; 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$(this).data('initialized', true); } }); $a.trackClickSource(".js-work-strip-work-link", "profile_work_strip") }); </script> <div class="js-work-strip profile--work_container" data-work-id="124684306"><div class="profile--work_thumbnail hidden-xs"><a class="js-work-strip-work-link" data-click-track="profile-work-strip-thumbnail" href="https://www.academia.edu/124684306/Engineering_disulfide_bonds_in_Selenomonas_ruminantium_%CE%B2_xylosidase_by_experimental_and_computational_methods"><img alt="Research paper thumbnail of Engineering disulfide bonds in Selenomonas ruminantium β-xylosidase by experimental and computational methods" class="work-thumbnail" src="https://attachments.academia-assets.com/118864595/thumbnails/1.jpg" /></a></div><div class="wp-workCard wp-workCard_itemContainer"><div class="wp-workCard_item wp-workCard--title"><a class="js-work-strip-work-link text-gray-darker" data-click-track="profile-work-strip-title" href="https://www.academia.edu/124684306/Engineering_disulfide_bonds_in_Selenomonas_ruminantium_%CE%B2_xylosidase_by_experimental_and_computational_methods">Engineering disulfide bonds in Selenomonas ruminantium β-xylosidase by experimental and computational methods</a></div><div class="wp-workCard_item"><span>International Journal of Biological Macromolecules</span><span>, 2017</span></div><div class="wp-workCard_item"><span class="js-work-more-abstract-truncated">Homotetrameric βxylosidase from Selenomonas ruminantium (SXA) is one of the most efficient enzyme...</span><a class="js-work-more-abstract" data-broccoli-component="work_strip.more_abstract" data-click-track="profile-work-strip-more-abstract" href="javascript:;"><span> more </span><span><i class="fa fa-caret-down"></i></span></a><span class="js-work-more-abstract-untruncated hidden">Homotetrameric βxylosidase from Selenomonas ruminantium (SXA) is one of the most efficient enzymes known for the hydrolysis of cell wall hemicellulose. SXA shows a rapid rate of activity loss at temperatures above 50 • C. In this study, we have introduced two inter-subunit disulfide bridges with one point mutation. Lys237 was chosen to be replaced with cysteine since it interacts with the same residue in the opposite subunit. While pH optimum, temperature profile and catalytic efficiency of the mutated variant were similar to the native enzyme, the mutated enzyme showed about 40% increase in thermal stability at 55 ˚C. Our results showed that introduction of a single residue mutation in structure of SXA results in appearance of two disulfide bonds at dimer-dimer interface of the enzyme. Coarse-grained molecular dynamics (CG-MD) simulations also proved lower amounts of root mean square fluctuation (RMSF) for position 237 and potential energy for mutated SXA. Based these results, we suggest that choosing a correct residue for mutation in multi subunit proteins results in multiple site conversions which equals to several simultaneous mutations. Furthermore, CG-MD simulation in agreement with experimental methods showed higher thermostability of mutated SXA which proved applicability of this simulation for thermostability analysis.</span></div><div class="wp-workCard_item wp-workCard--actions"><span class="work-strip-bookmark-button-container"></span><a id="4dbe77b87f98d8e1817e20ede904ef9f" class="wp-workCard--action" rel="nofollow" data-click-track="profile-work-strip-download" data-download="{"attachment_id":118864595,"asset_id":124684306,"asset_type":"Work","button_location":"profile"}" href="https://www.academia.edu/attachments/118864595/download_file?s=profile"><span><i class="fa fa-arrow-down"></i></span><span>Download</span></a><span class="wp-workCard--action visible-if-viewed-by-owner inline-block" style="display: none;"><span class="js-profile-work-strip-edit-button-wrapper profile-work-strip-edit-button-wrapper" data-work-id="124684306"><a class="js-profile-work-strip-edit-button" tabindex="0"><span><i class="fa fa-pencil"></i></span><span>Edit</span></a></span></span></div><div class="wp-workCard_item wp-workCard--stats"><span><span><span class="js-view-count view-count u-mr2x" data-work-id="124684306"><i class="fa fa-spinner fa-spin"></i></span><script>$(function () { var workId = 124684306; 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dispatcherData = { dispatcher: window.WowProfile.dispatcher, downloadLinkId: "4dbe77b87f98d8e1817e20ede904ef9f" } } $('.js-work-strip[data-work-id=124684306]').each(function() { if (!$(this).data('initialized')) { new WowProfile.WorkStripView({ el: this, workJSON: {"id":124684306,"title":"Engineering disulfide bonds in Selenomonas ruminantium β-xylosidase by experimental and computational methods","internal_url":"https://www.academia.edu/124684306/Engineering_disulfide_bonds_in_Selenomonas_ruminantium_%CE%B2_xylosidase_by_experimental_and_computational_methods","owner_id":26655805,"coauthors_can_edit":true,"owner":{"id":26655805,"first_name":"Sako","middle_initials":null,"last_name":"Mirzaie","page_name":"SakoMirzaie","domain_name":"iausdj","created_at":"2015-02-23T04:43:44.973-08:00","display_name":"Sako Mirzaie","url":"https://iausdj.academia.edu/SakoMirzaie"},"attachments":[{"id":118864595,"title":"","file_type":"pdf","scribd_thumbnail_url":"https://attachments.academia-assets.com/118864595/thumbnails/1.jpg","file_name":"j.ijbiomac.2016.10.10420241013-1-edl59s.pdf","download_url":"https://www.academia.edu/attachments/118864595/download_file","bulk_download_file_name":"Engineering_disulfide_bonds_in_Selenomon.pdf","bulk_download_url":"https://d1wqtxts1xzle7.cloudfront.net/118864595/j.ijbiomac.2016.10.10420241013-1-edl59s-libre.pdf?1728835703=\u0026response-content-disposition=attachment%3B+filename%3DEngineering_disulfide_bonds_in_Selenomon.pdf\u0026Expires=1740231315\u0026Signature=W0CzqC9bNdOQQ3Im19WoDijuIn9xLwL4Fe74kTPoP5NLsUzNgJOzb2X2n2blJqKAwbtUvVTd4QclroefHpDiFdzUvNpNvjCxslT61jLXoUWUk5T-e6Yzq-VDKL2ZhCD5DIwmw2mPiNgU-AHbtY5EwmPtl4eLO7F-ghcywVSAPdk4JipMxrl6~mW0Up0ef6R0fPKo0jhHyvk1pp2-dCTEIwOHO3deo~7xwk2U1h4fEW6Y00G94TdE3gkPOsIzet~Q3q687M-OE0Stve50nyrdusKBzRnlepfW1b3~qODSmE4ih~fQu1z8O4JiFX4jfsO-KSMOF8kbP-3FtsMRv7P9Wg__\u0026Key-Pair-Id=APKAJLOHF5GGSLRBV4ZA"}]}, dispatcherData: dispatcherData }); $(this).data('initialized', true); } }); $a.trackClickSource(".js-work-strip-work-link", "profile_work_strip") }); </script> <div class="js-work-strip profile--work_container" data-work-id="124684305"><div class="profile--work_thumbnail hidden-xs"><a class="js-work-strip-work-link" data-click-track="profile-work-strip-thumbnail" rel="nofollow" href="https://www.academia.edu/124684305/Hemopressin_Peptides_as_Modulators_of_the_Endocannabinoid_System_and_their_Potential_Applications_as_Therapeutic_Tools"><img alt="Research paper thumbnail of Hemopressin Peptides as Modulators of the Endocannabinoid System and their Potential Applications as Therapeutic Tools" class="work-thumbnail" src="https://a.academia-assets.com/images/blank-paper.jpg" /></a></div><div class="wp-workCard wp-workCard_itemContainer"><div class="wp-workCard_item wp-workCard--title"><a class="js-work-strip-work-link text-gray-darker" data-click-track="profile-work-strip-title" rel="nofollow" href="https://www.academia.edu/124684305/Hemopressin_Peptides_as_Modulators_of_the_Endocannabinoid_System_and_their_Potential_Applications_as_Therapeutic_Tools">Hemopressin Peptides as Modulators of the Endocannabinoid System and their Potential Applications as Therapeutic Tools</a></div><div class="wp-workCard_item"><span>Protein &amp; Peptide Letters</span><span>, 2016</span></div><div class="wp-workCard_item"><span class="js-work-more-abstract-truncated">The endocannabinoid system is activated by the binding of natural arachidonic acid derivatives (e...</span><a class="js-work-more-abstract" data-broccoli-component="work_strip.more_abstract" data-click-track="profile-work-strip-more-abstract" href="javascript:;"><span> more </span><span><i class="fa fa-caret-down"></i></span></a><span class="js-work-more-abstract-untruncated hidden">The endocannabinoid system is activated by the binding of natural arachidonic acid derivatives (endogenous cannabinoids or endocannabinoids) as lipophilic messengers to cannabinoid receptors CB1 and CB2. The endocannabinoid system comprises also many hydrolytic enzymes responsible for the endocannabinoids cleavage, such as FAAH and MAGL. These two enzymes are possible therapeutic targets for the development of new drugs as indirect cannabinoid agonists. Recently a new family of endocannabinoid modulators was discovered; the lead of this family is the nonapeptide hemopressin produced from enzymatic cleavage of the α-chain of hemoglobin and acting as negative allosteric modulator of CB1. Hemopressin shows several physiological effects, e.g. antinociception, hypophagy, and hypotension. It is still matter of debate whether this peptide, isolated from the brain of rats is a real neuromodulator of the endocannabinoid system. Recent evidence indicates that hemopressin could be a by-product formed by chemical degradation of a longer peptide RVD-hemopressin during the extraction from the brain homolysate. Indeed, RVD-hemopressin is more active than hemopressin in certain biological tests and may bind to the same subsite as Rimonabant, which is an inverse agonist for the CB1 receptor and a μ-opioid receptor antagonist. These findings have stimulated several studies to verify this hypothesis and to evaluate possible therapeutic applications of hemopressin, its peptidic derivatives and synthetic analogues, opening new perspectives to the development of novel cannabinoid drugs.</span></div><div class="wp-workCard_item wp-workCard--actions"><span class="work-strip-bookmark-button-container"></span><span class="wp-workCard--action visible-if-viewed-by-owner inline-block" style="display: none;"><span class="js-profile-work-strip-edit-button-wrapper profile-work-strip-edit-button-wrapper" data-work-id="124684305"><a class="js-profile-work-strip-edit-button" tabindex="0"><span><i class="fa fa-pencil"></i></span><span>Edit</span></a></span></span></div><div class="wp-workCard_item wp-workCard--stats"><span><span><span class="js-view-count view-count u-mr2x" data-work-id="124684305"><i class="fa fa-spinner fa-spin"></i></span><script>$(function () { var workId = 124684305; window.Academia.workViewCountsFetcher.queue(workId, function (count) { var description = window.$h.commaizeInt(count) + " " + window.$h.pluralize(count, 'View'); $(".js-view-count[data-work-id=124684305]").text(description); $(".js-view-count[data-work-id=124684305]").attr('title', description).tooltip(); }); });</script></span></span><span><span class="percentile-widget hidden"><span class="u-mr2x work-percentile"></span></span><script>$(function () { var workId = 124684305; window.Academia.workPercentilesFetcher.queue(workId, function (percentileText) { var container = $(".js-work-strip[data-work-id='124684305']"); container.find('.work-percentile').text(percentileText.charAt(0).toUpperCase() + percentileText.slice(1)); container.find('.percentile-widget').show(); container.find('.percentile-widget').removeClass('hidden'); }); });</script></span></div><div id="work-strip-premium-row-container"></div></div></div><script> require.config({ waitSeconds: 90 })(["https://a.academia-assets.com/assets/wow_profile-a9bf3a2bc8c89fa2a77156577594264ee8a0f214d74241bc0fcd3f69f8d107ac.js","https://a.academia-assets.com/assets/work_edit-ad038b8c047c1a8d4fa01b402d530ff93c45fee2137a149a4a5398bc8ad67560.js"], function() { // from javascript_helper.rb var dispatcherData = {} if (false){ window.WowProfile.dispatcher = window.WowProfile.dispatcher || _.clone(Backbone.Events); 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</script> <div class="js-work-strip profile--work_container" data-work-id="124684304"><div class="profile--work_thumbnail hidden-xs"><a class="js-work-strip-work-link" data-click-track="profile-work-strip-thumbnail" href="https://www.academia.edu/124684304/Evaluation_of_the_analgesic_effect_of_4_anilidopiperidine_scaffold_containing_ureas_and_carbamates"><img alt="Research paper thumbnail of Evaluation of the analgesic effect of 4-anilidopiperidine scaffold containing ureas and carbamates" class="work-thumbnail" src="https://attachments.academia-assets.com/118864592/thumbnails/1.jpg" /></a></div><div class="wp-workCard wp-workCard_itemContainer"><div class="wp-workCard_item wp-workCard--title"><a class="js-work-strip-work-link text-gray-darker" data-click-track="profile-work-strip-title" href="https://www.academia.edu/124684304/Evaluation_of_the_analgesic_effect_of_4_anilidopiperidine_scaffold_containing_ureas_and_carbamates">Evaluation of the analgesic effect of 4-anilidopiperidine scaffold containing ureas and carbamates</a></div><div class="wp-workCard_item"><span>Journal of enzyme inhibition and medicinal chemistry</span><span>, Jan 11, 2016</span></div><div class="wp-workCard_item"><span class="js-work-more-abstract-truncated">Fentanyl is a powerful opiate analgesic typically used for the treatment of severe and chronic pa...</span><a class="js-work-more-abstract" data-broccoli-component="work_strip.more_abstract" data-click-track="profile-work-strip-more-abstract" href="javascript:;"><span> more </span><span><i class="fa fa-caret-down"></i></span></a><span class="js-work-more-abstract-untruncated hidden">Fentanyl is a powerful opiate analgesic typically used for the treatment of severe and chronic pain, but its prescription is strongly limited by the well-documented side-effects. Different approaches have been applied to develop strong analgesic drugs with reduced pharmacologic side-effects. One of the most promising is the design of multitarget drugs. In this paper we report the synthesis, characterization and biological evaluation of twelve new 4-anilidopiperidine (fentanyl analogues). In vivo hot-Plate test, shows a moderate antinociceptive activity for compounds OMDM585 and OMDM586, despite the weak binding affinity on both μ and δ-opioid receptors. A strong inverse agonist activity in the GTP-binding assay was revealed suggesting the involvement of alternative systems in the brain. Fatty acid amide hydrolase inhibition was evaluated, together with binding assays of cannabinoid receptors. We can conclude that compounds OMDM585 and 586 are capable to elicit antinociception due to...</span></div><div class="wp-workCard_item wp-workCard--actions"><span class="work-strip-bookmark-button-container"></span><a id="13eb47a8b47f01972c24400e8065505f" class="wp-workCard--action" rel="nofollow" data-click-track="profile-work-strip-download" data-download="{"attachment_id":118864592,"asset_id":124684304,"asset_type":"Work","button_location":"profile"}" href="https://www.academia.edu/attachments/118864592/download_file?s=profile"><span><i class="fa fa-arrow-down"></i></span><span>Download</span></a><span class="wp-workCard--action visible-if-viewed-by-owner inline-block" style="display: none;"><span class="js-profile-work-strip-edit-button-wrapper profile-work-strip-edit-button-wrapper" data-work-id="124684304"><a class="js-profile-work-strip-edit-button" tabindex="0"><span><i class="fa fa-pencil"></i></span><span>Edit</span></a></span></span></div><div class="wp-workCard_item wp-workCard--stats"><span><span><span class="js-view-count view-count u-mr2x" data-work-id="124684304"><i class="fa fa-spinner fa-spin"></i></span><script>$(function () { var workId = 124684304; window.Academia.workViewCountsFetcher.queue(workId, function (count) { var description = window.$h.commaizeInt(count) + " " + window.$h.pluralize(count, 'View'); $(".js-view-count[data-work-id=124684304]").text(description); $(".js-view-count[data-work-id=124684304]").attr('title', description).tooltip(); }); });</script></span></span><span><span class="percentile-widget hidden"><span class="u-mr2x work-percentile"></span></span><script>$(function () { var workId = 124684304; window.Academia.workPercentilesFetcher.queue(workId, function (percentileText) { var container = $(".js-work-strip[data-work-id='124684304']"); container.find('.work-percentile').text(percentileText.charAt(0).toUpperCase() + percentileText.slice(1)); container.find('.percentile-widget').show(); container.find('.percentile-widget').removeClass('hidden'); }); });</script></span></div><div id="work-strip-premium-row-container"></div></div></div><script> require.config({ waitSeconds: 90 })(["https://a.academia-assets.com/assets/wow_profile-a9bf3a2bc8c89fa2a77156577594264ee8a0f214d74241bc0fcd3f69f8d107ac.js","https://a.academia-assets.com/assets/work_edit-ad038b8c047c1a8d4fa01b402d530ff93c45fee2137a149a4a5398bc8ad67560.js"], function() { // from javascript_helper.rb var dispatcherData = {} if (true){ window.WowProfile.dispatcher = window.WowProfile.dispatcher || _.clone(Backbone.Events); dispatcherData = { dispatcher: window.WowProfile.dispatcher, downloadLinkId: "13eb47a8b47f01972c24400e8065505f" } } $('.js-work-strip[data-work-id=124684304]').each(function() { if (!$(this).data('initialized')) { new WowProfile.WorkStripView({ el: this, workJSON: {"id":124684304,"title":"Evaluation of the analgesic effect of 4-anilidopiperidine scaffold containing ureas and carbamates","internal_url":"https://www.academia.edu/124684304/Evaluation_of_the_analgesic_effect_of_4_anilidopiperidine_scaffold_containing_ureas_and_carbamates","owner_id":26655805,"coauthors_can_edit":true,"owner":{"id":26655805,"first_name":"Sako","middle_initials":null,"last_name":"Mirzaie","page_name":"SakoMirzaie","domain_name":"iausdj","created_at":"2015-02-23T04:43:44.973-08:00","display_name":"Sako Mirzaie","url":"https://iausdj.academia.edu/SakoMirzaie"},"attachments":[{"id":118864592,"title":"","file_type":"pdf","scribd_thumbnail_url":"https://attachments.academia-assets.com/118864592/thumbnails/1.jpg","file_name":"Monti_Evaluation_2016.pdf","download_url":"https://www.academia.edu/attachments/118864592/download_file","bulk_download_file_name":"Evaluation_of_the_analgesic_effect_of_4.pdf","bulk_download_url":"https://d1wqtxts1xzle7.cloudfront.net/118864592/Monti_Evaluation_2016-libre.pdf?1728835699=\u0026response-content-disposition=attachment%3B+filename%3DEvaluation_of_the_analgesic_effect_of_4.pdf\u0026Expires=1740231315\u0026Signature=T1~hS6jq9CurLst6xcYaOi0pabVWxhHqVm8cR3xfn61fiaelgtznxUXXwpZGvE9~AypQu9STb1agajrRTPnrGaHz~GV4nYhnS6Xq~zGyYVCAHGOui3U8-eQLFLZrAf-cPfDhL2tNiRZ-iTAL2w4y73C00OLrvfoK7h5ZhSTQS7weC4gQpipie7~Q-M2tuZFDXJSkLvH~ifnD2kLpnvHe1tqjfvHT4KDKQyptfQ5qLv-BrC6wIVzpOLdNOj6O~wBbfd~GIOTKN2rV8bFp6XkyjTa8wNm84fhLWZ6fxGozHRxbU6gyCNMbw38tMFAGaKkDtGbZ9zAnCpsGLKOttdBKwA__\u0026Key-Pair-Id=APKAJLOHF5GGSLRBV4ZA"}]}, dispatcherData: dispatcherData }); $(this).data('initialized', true); } }); $a.trackClickSource(".js-work-strip-work-link", "profile_work_strip") }); </script> <div class="js-work-strip profile--work_container" data-work-id="124684303"><div class="profile--work_thumbnail hidden-xs"><a class="js-work-strip-work-link" data-click-track="profile-work-strip-thumbnail" href="https://www.academia.edu/124684303/Exploring_the_biological_consequences_of_conformational_changes_in_aspartame_models_containing_constrained_analogues_of_phenylalanine"><img alt="Research paper thumbnail of Exploring the biological consequences of conformational changes in aspartame models containing constrained analogues of phenylalanine" class="work-thumbnail" src="https://attachments.academia-assets.com/118864590/thumbnails/1.jpg" /></a></div><div class="wp-workCard wp-workCard_itemContainer"><div class="wp-workCard_item wp-workCard--title"><a class="js-work-strip-work-link text-gray-darker" data-click-track="profile-work-strip-title" href="https://www.academia.edu/124684303/Exploring_the_biological_consequences_of_conformational_changes_in_aspartame_models_containing_constrained_analogues_of_phenylalanine">Exploring the biological consequences of conformational changes in aspartame models containing constrained analogues of phenylalanine</a></div><div class="wp-workCard_item"><span>Journal of enzyme inhibition and medicinal chemistry</span><span>, Jan 26, 2015</span></div><div class="wp-workCard_item"><span class="js-work-more-abstract-truncated">The dipeptide aspartame (Asp-Phe-OMe) is a sweetener widely used in replacement of sucrose by foo...</span><a class="js-work-more-abstract" data-broccoli-component="work_strip.more_abstract" data-click-track="profile-work-strip-more-abstract" href="javascript:;"><span> more </span><span><i class="fa fa-caret-down"></i></span></a><span class="js-work-more-abstract-untruncated hidden">The dipeptide aspartame (Asp-Phe-OMe) is a sweetener widely used in replacement of sucrose by food industry. 2&#39;,6&#39;-Dimethyltyrosine (DMT) and 2&#39;,6&#39;-dimethylphenylalanine (DMP) are two synthetic phenylalanine-constrained analogues, with a limited freedom in χ-space due to the presence of methyl groups in position 2&#39;,6&#39; of the aromatic ring. These residues have shown to increase the activity of opioid peptides, such as endomorphins improving the binding to the opioid receptors. In this work, DMT and DMP have been synthesized following a diketopiperazine-mediated route and the corresponding aspartame derivatives (Asp-DMT-OMe and Asp-DMP-OMe) have been evaluated in vivo and in silico for their activity as synthetic sweeteners.</span></div><div class="wp-workCard_item wp-workCard--actions"><span class="work-strip-bookmark-button-container"></span><a id="d032d49736c1d7b824855ae4b7def873" class="wp-workCard--action" rel="nofollow" data-click-track="profile-work-strip-download" data-download="{"attachment_id":118864590,"asset_id":124684303,"asset_type":"Work","button_location":"profile"}" href="https://www.academia.edu/attachments/118864590/download_file?s=profile"><span><i class="fa fa-arrow-down"></i></span><span>Download</span></a><span class="wp-workCard--action visible-if-viewed-by-owner inline-block" style="display: none;"><span class="js-profile-work-strip-edit-button-wrapper profile-work-strip-edit-button-wrapper" data-work-id="124684303"><a class="js-profile-work-strip-edit-button" tabindex="0"><span><i class="fa fa-pencil"></i></span><span>Edit</span></a></span></span></div><div class="wp-workCard_item wp-workCard--stats"><span><span><span class="js-view-count view-count u-mr2x" data-work-id="124684303"><i class="fa fa-spinner fa-spin"></i></span><script>$(function () { var workId = 124684303; window.Academia.workViewCountsFetcher.queue(workId, function (count) { var description = window.$h.commaizeInt(count) + " " + window.$h.pluralize(count, 'View'); $(".js-view-count[data-work-id=124684303]").text(description); $(".js-view-count[data-work-id=124684303]").attr('title', description).tooltip(); }); });</script></span></span><span><span class="percentile-widget hidden"><span class="u-mr2x work-percentile"></span></span><script>$(function () { var workId = 124684303; window.Academia.workPercentilesFetcher.queue(workId, function (percentileText) { var container = $(".js-work-strip[data-work-id='124684303']"); container.find('.work-percentile').text(percentileText.charAt(0).toUpperCase() + percentileText.slice(1)); container.find('.percentile-widget').show(); container.find('.percentile-widget').removeClass('hidden'); }); });</script></span></div><div id="work-strip-premium-row-container"></div></div></div><script> require.config({ waitSeconds: 90 })(["https://a.academia-assets.com/assets/wow_profile-a9bf3a2bc8c89fa2a77156577594264ee8a0f214d74241bc0fcd3f69f8d107ac.js","https://a.academia-assets.com/assets/work_edit-ad038b8c047c1a8d4fa01b402d530ff93c45fee2137a149a4a5398bc8ad67560.js"], function() { // from javascript_helper.rb var dispatcherData = {} if (true){ window.WowProfile.dispatcher = window.WowProfile.dispatcher || _.clone(Backbone.Events); 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$(this).data('initialized', true); } }); $a.trackClickSource(".js-work-strip-work-link", "profile_work_strip") }); </script> <div class="js-work-strip profile--work_container" data-work-id="124684302"><div class="profile--work_thumbnail hidden-xs"><a class="js-work-strip-work-link" data-click-track="profile-work-strip-thumbnail" href="https://www.academia.edu/124684302/Preparation_of_Constrained_Unnatural_Aromatic_Amino_AcidsviaUnsaturated_Diketopiperazine_Intermediate"><img alt="Research paper thumbnail of Preparation of Constrained Unnatural Aromatic Amino AcidsviaUnsaturated Diketopiperazine Intermediate" class="work-thumbnail" src="https://attachments.academia-assets.com/118864591/thumbnails/1.jpg" /></a></div><div class="wp-workCard wp-workCard_itemContainer"><div class="wp-workCard_item wp-workCard--title"><a class="js-work-strip-work-link text-gray-darker" data-click-track="profile-work-strip-title" href="https://www.academia.edu/124684302/Preparation_of_Constrained_Unnatural_Aromatic_Amino_AcidsviaUnsaturated_Diketopiperazine_Intermediate">Preparation of Constrained Unnatural Aromatic Amino AcidsviaUnsaturated Diketopiperazine Intermediate</a></div><div class="wp-workCard_item"><span>Journal of Heterocyclic Chemistry</span><span>, 2015</span></div><div class="wp-workCard_item"><span class="js-work-more-abstract-truncated">Unnatural aromatic amino acids are useful tools in drug discovery, since their insertion in bioac...</span><a class="js-work-more-abstract" data-broccoli-component="work_strip.more_abstract" data-click-track="profile-work-strip-more-abstract" href="javascript:;"><span> more </span><span><i class="fa fa-caret-down"></i></span></a><span class="js-work-more-abstract-untruncated hidden">Unnatural aromatic amino acids are useful tools in drug discovery, since their insertion in bioactive peptide sequences can change the side chains spatial orientation, the backbone conformation and above all, their bioactivity. In this communication, we propose a straightforward method to synthesize 2′,6′-dimethyl-tyrosine and 2′,6′-dimehylphenyl-alanine derivatives as handling building blocks for peptide synthesis via unsaturated diketopiperazine (DKP) intermediate.</span></div><div class="wp-workCard_item wp-workCard--actions"><span class="work-strip-bookmark-button-container"></span><a id="0785b3e07e30860e9e1985b64353f73e" class="wp-workCard--action" rel="nofollow" data-click-track="profile-work-strip-download" data-download="{"attachment_id":118864591,"asset_id":124684302,"asset_type":"Work","button_location":"profile"}" href="https://www.academia.edu/attachments/118864591/download_file?s=profile"><span><i class="fa fa-arrow-down"></i></span><span>Download</span></a><span class="wp-workCard--action visible-if-viewed-by-owner inline-block" style="display: none;"><span class="js-profile-work-strip-edit-button-wrapper profile-work-strip-edit-button-wrapper" data-work-id="124684302"><a class="js-profile-work-strip-edit-button" tabindex="0"><span><i class="fa fa-pencil"></i></span><span>Edit</span></a></span></span></div><div class="wp-workCard_item wp-workCard--stats"><span><span><span class="js-view-count view-count u-mr2x" data-work-id="124684302"><i class="fa fa-spinner fa-spin"></i></span><script>$(function () { var workId = 124684302; 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$(this).data('initialized', true); } }); $a.trackClickSource(".js-work-strip-work-link", "profile_work_strip") }); </script> <div class="js-work-strip profile--work_container" data-work-id="124684301"><div class="profile--work_thumbnail hidden-xs"><a class="js-work-strip-work-link" data-click-track="profile-work-strip-thumbnail" href="https://www.academia.edu/124684301/Monoterpenes_as_nitrofurantoin_resistance_modulating_agents_minimal_structural_requirements_molecular_dynamics_simulations_and_the_effect_of_piperitone_on_the_emergence_of_nitrofurantoin_resistance_in_Enterobacteriaceae"><img alt="Research paper thumbnail of Monoterpenes as nitrofurantoin resistance modulating agents: minimal structural requirements, molecular dynamics simulations, and the effect of piperitone on the emergence of nitrofurantoin resistance in Enterobacteriaceae" class="work-thumbnail" src="https://attachments.academia-assets.com/118864593/thumbnails/1.jpg" /></a></div><div class="wp-workCard wp-workCard_itemContainer"><div class="wp-workCard_item wp-workCard--title"><a class="js-work-strip-work-link text-gray-darker" data-click-track="profile-work-strip-title" href="https://www.academia.edu/124684301/Monoterpenes_as_nitrofurantoin_resistance_modulating_agents_minimal_structural_requirements_molecular_dynamics_simulations_and_the_effect_of_piperitone_on_the_emergence_of_nitrofurantoin_resistance_in_Enterobacteriaceae">Monoterpenes as nitrofurantoin resistance modulating agents: minimal structural requirements, molecular dynamics simulations, and the effect of piperitone on the emergence of nitrofurantoin resistance in Enterobacteriaceae</a></div><div class="wp-workCard_item"><span>Journal of molecular modeling</span><span>, 2015</span></div><div class="wp-workCard_item"><span class="js-work-more-abstract-truncated">The effects of different monoterpenes and 2-cyclohexen-1-one on the antibacterial activity of nit...</span><a class="js-work-more-abstract" data-broccoli-component="work_strip.more_abstract" data-click-track="profile-work-strip-more-abstract" href="javascript:;"><span> more </span><span><i class="fa fa-caret-down"></i></span></a><span class="js-work-more-abstract-untruncated hidden">The effects of different monoterpenes and 2-cyclohexen-1-one on the antibacterial activity of nitrofurantoin against resistant Enterobacter cloacae, were compared and the minimal structural component of monoterpene required for the highest level of resistance-modulating activity was determined. Subinhibitory concentrations of all compounds tested enhanced the antibacterial activity of nitrofurantoin against E. cloacae to different extents. The highest synergistic effect was observed for the monoterpenes, like piperitone, which contained a conjugated ketone and C=C bond in their carbon ring structure. Piperitone also suppressed the emergence of nitrofurantoin-resistant strains of Enterobacteriaceae that were mutagenized by ethyl methanesulfonate. The modes of interaction of carvone, piperitone, and an enzyme inhibitor, benzoate, with nitroreductase were investigated by molecular docking and molecular dynamic (MD) simulation for 20 ns. MD simulation supported greater stability of the ...</span></div><div class="wp-workCard_item wp-workCard--actions"><span class="work-strip-bookmark-button-container"></span><a id="a94a6756c28d1ba113a3aef2b9c145b1" class="wp-workCard--action" rel="nofollow" data-click-track="profile-work-strip-download" data-download="{"attachment_id":118864593,"asset_id":124684301,"asset_type":"Work","button_location":"profile"}" href="https://www.academia.edu/attachments/118864593/download_file?s=profile"><span><i class="fa fa-arrow-down"></i></span><span>Download</span></a><span class="wp-workCard--action visible-if-viewed-by-owner inline-block" style="display: none;"><span class="js-profile-work-strip-edit-button-wrapper profile-work-strip-edit-button-wrapper" data-work-id="124684301"><a class="js-profile-work-strip-edit-button" tabindex="0"><span><i class="fa fa-pencil"></i></span><span>Edit</span></a></span></span></div><div class="wp-workCard_item wp-workCard--stats"><span><span><span class="js-view-count view-count u-mr2x" data-work-id="124684301"><i class="fa fa-spinner fa-spin"></i></span><script>$(function () { var workId = 124684301; 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$(this).data('initialized', true); } }); $a.trackClickSource(".js-work-strip-work-link", "profile_work_strip") }); </script> <div class="js-work-strip profile--work_container" data-work-id="124684300"><div class="profile--work_thumbnail hidden-xs"><a class="js-work-strip-work-link" data-click-track="profile-work-strip-thumbnail" rel="nofollow" href="https://www.academia.edu/124684300/Nicotine_inhibition_of_lycopene_cyclase"><img alt="Research paper thumbnail of Nicotine inhibition of lycopene cyclase" class="work-thumbnail" src="https://a.academia-assets.com/images/blank-paper.jpg" /></a></div><div class="wp-workCard wp-workCard_itemContainer"><div class="wp-workCard_item wp-workCard--title"><a class="js-work-strip-work-link text-gray-darker" data-click-track="profile-work-strip-title" rel="nofollow" href="https://www.academia.edu/124684300/Nicotine_inhibition_of_lycopene_cyclase">Nicotine inhibition of lycopene cyclase</a></div><div class="wp-workCard_item wp-workCard--actions"><span class="work-strip-bookmark-button-container"></span><span class="wp-workCard--action visible-if-viewed-by-owner inline-block" style="display: none;"><span class="js-profile-work-strip-edit-button-wrapper profile-work-strip-edit-button-wrapper" data-work-id="124684300"><a class="js-profile-work-strip-edit-button" tabindex="0"><span><i class="fa fa-pencil"></i></span><span>Edit</span></a></span></span></div><div class="wp-workCard_item wp-workCard--stats"><span><span><span class="js-view-count view-count u-mr2x" data-work-id="124684300"><i class="fa fa-spinner fa-spin"></i></span><script>$(function () { var workId = 124684300; window.Academia.workViewCountsFetcher.queue(workId, function (count) { var description = window.$h.commaizeInt(count) + " " + window.$h.pluralize(count, 'View'); $(".js-view-count[data-work-id=124684300]").text(description); $(".js-view-count[data-work-id=124684300]").attr('title', description).tooltip(); }); });</script></span></span><span><span class="percentile-widget hidden"><span class="u-mr2x work-percentile"></span></span><script>$(function () { var workId = 124684300; window.Academia.workPercentilesFetcher.queue(workId, function (percentileText) { var container = $(".js-work-strip[data-work-id='124684300']"); container.find('.work-percentile').text(percentileText.charAt(0).toUpperCase() + percentileText.slice(1)); container.find('.percentile-widget').show(); container.find('.percentile-widget').removeClass('hidden'); }); });</script></span></div><div id="work-strip-premium-row-container"></div></div></div><script> require.config({ waitSeconds: 90 })(["https://a.academia-assets.com/assets/wow_profile-a9bf3a2bc8c89fa2a77156577594264ee8a0f214d74241bc0fcd3f69f8d107ac.js","https://a.academia-assets.com/assets/work_edit-ad038b8c047c1a8d4fa01b402d530ff93c45fee2137a149a4a5398bc8ad67560.js"], function() { // from javascript_helper.rb var dispatcherData = {} if (false){ window.WowProfile.dispatcher = window.WowProfile.dispatcher || _.clone(Backbone.Events); dispatcherData = { dispatcher: window.WowProfile.dispatcher, downloadLinkId: "-1" } } $('.js-work-strip[data-work-id=124684300]').each(function() { if (!$(this).data('initialized')) { new WowProfile.WorkStripView({ el: this, workJSON: {"id":124684300,"title":"Nicotine inhibition of lycopene cyclase","internal_url":"https://www.academia.edu/124684300/Nicotine_inhibition_of_lycopene_cyclase","owner_id":26655805,"coauthors_can_edit":true,"owner":{"id":26655805,"first_name":"Sako","middle_initials":null,"last_name":"Mirzaie","page_name":"SakoMirzaie","domain_name":"iausdj","created_at":"2015-02-23T04:43:44.973-08:00","display_name":"Sako Mirzaie","url":"https://iausdj.academia.edu/SakoMirzaie"},"attachments":[]}, dispatcherData: dispatcherData }); $(this).data('initialized', true); } }); $a.trackClickSource(".js-work-strip-work-link", "profile_work_strip") }); </script> <div class="js-work-strip profile--work_container" data-work-id="124684298"><div class="profile--work_thumbnail hidden-xs"><a class="js-work-strip-work-link" data-click-track="profile-work-strip-thumbnail" rel="nofollow" href="https://www.academia.edu/124684298/Transdermal_delivery_of_a_somatostatin_receptor_type_2_antagonist_using_microneedle_patch_technology_for_hypoglycemia_prevention"><img alt="Research paper thumbnail of Transdermal delivery of a somatostatin receptor type 2 antagonist using microneedle patch technology for hypoglycemia prevention" class="work-thumbnail" src="https://a.academia-assets.com/images/blank-paper.jpg" /></a></div><div class="wp-workCard wp-workCard_itemContainer"><div class="wp-workCard_item wp-workCard--title"><a class="js-work-strip-work-link text-gray-darker" data-click-track="profile-work-strip-title" rel="nofollow" href="https://www.academia.edu/124684298/Transdermal_delivery_of_a_somatostatin_receptor_type_2_antagonist_using_microneedle_patch_technology_for_hypoglycemia_prevention">Transdermal delivery of a somatostatin receptor type 2 antagonist using microneedle patch technology for hypoglycemia prevention</a></div><div class="wp-workCard_item"><span>Drug Delivery and Translational Research</span><span>, 2021</span></div><div class="wp-workCard_item"><span class="js-work-more-abstract-truncated">Hypoglycemia is a serious and potentially fatal complication experienced by people with insulin-d...</span><a class="js-work-more-abstract" data-broccoli-component="work_strip.more_abstract" data-click-track="profile-work-strip-more-abstract" href="javascript:;"><span> more </span><span><i class="fa fa-caret-down"></i></span></a><span class="js-work-more-abstract-untruncated hidden">Hypoglycemia is a serious and potentially fatal complication experienced by people with insulin-dependent diabetes. The complication is usually caused by insulin overdose, skipping meals, and/or excessive physical activities. In type 1 diabetes (T1D), on top of impaired pancreatic α-cells, excessive levels of somatostatin from δ-cells further inhibit glucagon secretion to counteract overdosed insulin. Herein, we aimed to develop a microneedle (MN) patch for transdermal delivery of a peptide (PRL-2903) that antagonizes somatostatin receptor type 2 (SSTR2) in α-cells. First, we investigated the efficacy of subcutaneously administered PRL-2903 and identified the optimal dose (i.e., the minimum effective dose) and treatment scheduling (i.e., the best administration time for hypoglycemia prevention) in a T1D rat model. We then designed an MN patch using a hyaluronic acid (HA)-based polymer. The possible effect of the polymer on stabilizing the native structure of PRL-2903 was studied by molecular dynamics (MD) simulations. The results showed that the HA-based polymer could stabilize the PRL-2903 structure by restricting water molecules, promoting intra-molecular H-bonding, and constraining torsional angles of important bonds. In vivo studies with an overdose insulin challenge revealed that the PRL-2903-loaded MN patch effectively increased the plasma glucagon level, restored the counter-regulation of blood glucose concentration, and prevented hypoglycemia. The proposed MN patch is the first demonstration of a transdermal microneedle patch designed to deliver an SSTR2 antagonist for the prevention of hypoglycemia. This counter-regulatory peptide delivery system may be applied alongside with insulin delivery systems to provide a more effective and safer treatment for people with insulin-dependent diabetes.</span></div><div class="wp-workCard_item wp-workCard--actions"><span class="work-strip-bookmark-button-container"></span><span class="wp-workCard--action visible-if-viewed-by-owner inline-block" style="display: none;"><span class="js-profile-work-strip-edit-button-wrapper profile-work-strip-edit-button-wrapper" data-work-id="124684298"><a class="js-profile-work-strip-edit-button" tabindex="0"><span><i class="fa fa-pencil"></i></span><span>Edit</span></a></span></span></div><div class="wp-workCard_item wp-workCard--stats"><span><span><span class="js-view-count view-count u-mr2x" data-work-id="124684298"><i class="fa fa-spinner fa-spin"></i></span><script>$(function () { var workId = 124684298; window.Academia.workViewCountsFetcher.queue(workId, function (count) { var description = window.$h.commaizeInt(count) + " " + window.$h.pluralize(count, 'View'); 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