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derivatives and integrals</title> <meta name="description" content="Search results for: fractional derivatives and integrals"> <meta name="keywords" content="fractional derivatives and integrals"> <meta name="viewport" content="width=device-width, initial-scale=1, minimum-scale=1, maximum-scale=1, user-scalable=no"> <meta charset="utf-8"> <link href="https://cdn.waset.org/favicon.ico" type="image/x-icon" rel="shortcut icon"> <link href="https://cdn.waset.org/static/plugins/bootstrap-4.2.1/css/bootstrap.min.css" rel="stylesheet"> <link href="https://cdn.waset.org/static/plugins/fontawesome/css/all.min.css" rel="stylesheet"> <link href="https://cdn.waset.org/static/css/site.css?v=150220211555" rel="stylesheet"> </head> <body> <header> <div class="container"> <nav class="navbar navbar-expand-lg navbar-light"> <a class="navbar-brand" href="https://waset.org"> <img src="https://cdn.waset.org/static/images/wasetc.png" alt="Open Science Research Excellence" title="Open Science Research 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method="get" action="https://publications.waset.org/abstracts/search"> <div id="custom-search-input"> <div class="input-group"> <i class="fas fa-search"></i> <input type="text" class="search-query" name="q" placeholder="Author, Title, Abstract, Keywords" value="fractional derivatives and integrals"> <input type="submit" class="btn_search" value="Search"> </div> </div> </form> </div> </div> <div class="row mt-3"> <div class="col-sm-3"> <div class="card"> <div class="card-body"><strong>Commenced</strong> in January 2007</div> </div> </div> <div class="col-sm-3"> <div class="card"> <div class="card-body"><strong>Frequency:</strong> Monthly</div> </div> </div> <div class="col-sm-3"> <div class="card"> <div class="card-body"><strong>Edition:</strong> International</div> </div> </div> <div class="col-sm-3"> <div class="card"> <div class="card-body"><strong>Paper Count:</strong> 823</div> </div> </div> </div> <h1 class="mt-3 mb-3 text-center" style="font-size:1.6rem;">Search results for: fractional derivatives and integrals</h1> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">583</span> Evaluation of Newly Synthesized Steroid Derivatives Using In silico Molecular Descriptors and Chemometric Techniques</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Milica%20%C5%BD.%20Karad%C5%BEi%C4%87">Milica Ž. Karadžić</a>, <a href="https://publications.waset.org/abstracts/search?q=Lidija%20R.%20Jevri%C4%87"> Lidija R. Jevrić</a>, <a href="https://publications.waset.org/abstracts/search?q=Sanja%20Podunavac-Kuzmanovi%C4%87"> Sanja Podunavac-Kuzmanović</a>, <a href="https://publications.waset.org/abstracts/search?q=Strahinja%20Z.%20Kova%C4%8Devi%C4%87"> Strahinja Z. Kovačević</a>, <a href="https://publications.waset.org/abstracts/search?q=Anamarija%20I.%20Mandi%C4%87"> Anamarija I. Mandić</a>, <a href="https://publications.waset.org/abstracts/search?q=Katarina%20Penov-Ga%C5%A1i"> Katarina Penov-Gaši</a>, <a href="https://publications.waset.org/abstracts/search?q=Andrea%20R.%20Nikoli%C4%87"> Andrea R. Nikolić</a>, <a href="https://publications.waset.org/abstracts/search?q=Aleksandar%20M.%20Oklje%C5%A1a"> Aleksandar M. Oklješa</a> </p> <p class="card-text"><strong>Abstract:</strong></p> This study considered selection of the in silico molecular descriptors and the models for newly synthesized steroid derivatives description and their characterization using chemometric techniques. Multiple linear regression (MLR) models were established and gave the best molecular descriptors for quantitative structure-retention relationship (QSRR) modeling of the retention of the investigated molecules. MLR models were without multicollinearity among the selected molecular descriptors according to the variance inflation factor (VIF) values. Used molecular descriptors were ranked using generalized pair correlation method (GPCM). In this method, the significant difference between independent variables can be noticed regardless almost equal correlation between dependent variable. Generated MLR models were statistically and cross-validated and the best models were kept. Models were ranked using sum of ranking differences (SRD) method. According to this method, the most consistent QSRR model can be found and similarity or dissimilarity between the models could be noticed. In this study, SRD was performed using average values of experimentally observed data as a golden standard. Chemometric analysis was conducted in order to characterize newly synthesized steroid derivatives for further investigation regarding their potential biological activity and further synthesis. This article is based upon work from COST Action (CM1105), supported by COST (European Cooperation in Science and Technology). <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=generalized%20pair%20correlation%20method" title="generalized pair correlation method">generalized pair correlation method</a>, <a href="https://publications.waset.org/abstracts/search?q=molecular%20descriptors" title=" molecular descriptors"> molecular descriptors</a>, <a href="https://publications.waset.org/abstracts/search?q=regression%20analysis" title=" regression analysis"> regression analysis</a>, <a href="https://publications.waset.org/abstracts/search?q=steroids" title=" steroids"> steroids</a>, <a href="https://publications.waset.org/abstracts/search?q=sum%20of%20ranking%20differences" title=" sum of ranking differences"> sum of ranking differences</a> </p> <a href="https://publications.waset.org/abstracts/49456/evaluation-of-newly-synthesized-steroid-derivatives-using-in-silico-molecular-descriptors-and-chemometric-techniques" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/49456.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">347</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">582</span> The Effect of Head Posture on the Kinematics of the Spine During Lifting and Lowering Tasks</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Mehdi%20Nematimoez">Mehdi Nematimoez</a> </p> <p class="card-text"><strong>Abstract:</strong></p> Head posture is paramount to retaining gaze and balance in many activities; its control is thus important in many activities. However, little information is available about the effects of head movement restriction on other spine segment kinematics and movement patterns during lifting and lowering tasks. The aim of this study was to examine the effects of head movement restriction on relative angles and their derivatives using the stepwise segmentation approach during lifting and lowering tasks. Ten healthy men lifted and lowered a box using two styles (stoop and squat), with two loads (i.e., 10 and 20% of body weight); they performed these tasks with two instructed head postures (1. Flexing the neck to keep contact between chin and chest over the task cycle; 2. No instruction, free head posture). The spine was divided into five segments, tracked by six cluster markers (C7, T3, T6, T9, T12, and L5). Relative angles between spine segments and their derivatives (first and second) were analyzed by a stepwise segmentation approach to consider the effect of each segment on the whole spine. Accordingly, head posture significantly affected the derivatives of the relative angles and manifested latency in spine segments movement, i.e., cephalad-to-caudad or caudad-to-cephalad patterns. The relative angles for C7-T3 and T3-T6 increased over the cycle of all lifting and lowering tasks; nevertheless, in lower segments increased significantly when the spine moved into upright standing. However, these effects were clearer during lifting than lowering. Conclusively, the neck flexion can unevenly increase the flexion angles of spine segments from cervical to lumbar over lifting and lowering tasks; furthermore, stepwise segmentation reveals potential for assessing the segmental contribution in spine ROM and movement patterns. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=head%20movement%20restriction" title="head movement restriction">head movement restriction</a>, <a href="https://publications.waset.org/abstracts/search?q=spine%20kinematics" title=" spine kinematics"> spine kinematics</a>, <a href="https://publications.waset.org/abstracts/search?q=lifting" title=" lifting"> lifting</a>, <a href="https://publications.waset.org/abstracts/search?q=lowering" title=" lowering"> lowering</a>, <a href="https://publications.waset.org/abstracts/search?q=stepwise%20segmentation" title=" stepwise segmentation"> stepwise segmentation</a> </p> <a href="https://publications.waset.org/abstracts/139893/the-effect-of-head-posture-on-the-kinematics-of-the-spine-during-lifting-and-lowering-tasks" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/139893.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">244</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">581</span> Radio Labeling and Characterization of Cysteine and Its Derivatives with Tc99m and Their Bio-Distribution</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Rabia%20Ashfaq">Rabia Ashfaq</a>, <a href="https://publications.waset.org/abstracts/search?q=Saeed%20Iqbal"> Saeed Iqbal</a>, <a href="https://publications.waset.org/abstracts/search?q=Atiq%20ur%20Rehman"> Atiq ur Rehman</a>, <a href="https://publications.waset.org/abstracts/search?q=Irfanullah%20Khan"> Irfanullah Khan</a> </p> <p class="card-text"><strong>Abstract:</strong></p> An extensive series of radiopharmaceuticals have been explored in order to discover a better brain tumour diagnostic agent. Tc99m labelling with cysteine and its derivatives in liposomes shows effective tagging of about 70% to 80 %. Due to microscopic size it successfully crossed the brain barrier in 2 minutes which gradually decreases in 5 to 15 minutes. HMPAO labelled with Tc99m is another important radiopharmaceutical used to study brain perfusion but it comes with a flaw that it’s only functional during epilepsy. 1, 1 ECD is purely used in Tc99m ECD formulation; because it not only tends to cross the blood brain barrier but it can be metabolized which can be easily entrapped in human brain. Radio labelling of Cysteine with Tc99m at room temperature was performed which yielded no good results. Hence cysteine derivatives with salicylaldehyde were prepared that produced about 75 % yield for ligand. In order to perform it’s radio labelling a suitable solvent DMSO was selected and physical parameters were performed. Elemental analyser produced remarkably similar results for ligand as reported in literature. IR spectra of Ligand in DMSO concluded in the absence of SH stretch and presence of N-H vibration. Thermal analysis of the ligand further suggested its decomposition pattern with no distinct curve for a melting point. Radio labelling of ligand was performed which produced excellent results giving up to 88% labelling at pH 5.0. Clinical trials using Rabbit were performed after validating the products reproducibility. The radiopharmaceutical prepared was injected into the rabbit. Dynamic as well as static study was performed under the SPECT. It showed considerable uptake in the kidneys and liver considering it suitable for the Hypatobilliary study. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=marcapto%20compounds" title="marcapto compounds">marcapto compounds</a>, <a href="https://publications.waset.org/abstracts/search?q=99mTc%20-%20radiolabeling" title=" 99mTc - radiolabeling"> 99mTc - radiolabeling</a>, <a href="https://publications.waset.org/abstracts/search?q=salicylaldicysteine" title=" salicylaldicysteine"> salicylaldicysteine</a>, <a href="https://publications.waset.org/abstracts/search?q=thiozolidine" title=" thiozolidine"> thiozolidine</a> </p> <a href="https://publications.waset.org/abstracts/44640/radio-labeling-and-characterization-of-cysteine-and-its-derivatives-with-tc99m-and-their-bio-distribution" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/44640.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">344</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">580</span> Hepatoprotective Assessment of L-Ascorbate 1-(2-Hydroxyethyl)-4,6-Dimethyl-1, 2-Dihydropyrimidine-2-On Exposure to Carbon Tetrachloride</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Nail%20Nazarov">Nail Nazarov</a>, <a href="https://publications.waset.org/abstracts/search?q=Alexandra%20Vyshtakalyuk"> Alexandra Vyshtakalyuk</a>, <a href="https://publications.waset.org/abstracts/search?q=Vyacheslav%20Semenov"> Vyacheslav Semenov</a>, <a href="https://publications.waset.org/abstracts/search?q=Irina%20Galyametdinova"> Irina Galyametdinova</a>, <a href="https://publications.waset.org/abstracts/search?q=Vladimir%20Zobov"> Vladimir Zobov</a>, <a href="https://publications.waset.org/abstracts/search?q=Vladimir%20Reznik"> Vladimir Reznik</a> </p> <p class="card-text"><strong>Abstract:</strong></p> Among hepatic pyrimidine used as a means of stimulating protein synthesis and recovery of liver cells in her damaged toxic and infectious etiology. When an experimental toxic hepatitis hepatoprotective activity detected some pyrimidine derivatives. There are literature data on oksimetiluratcila hepatoprotective effect. For analogs of pyrimidine nucleobases - drugs Methyluracilum pentoxy and hepatoprotective effect of weakly expressed. According to the American scientists broad spectrum of biological activity, including hepatoprotective properties, have a 2,4-dioxo-5-arilidenimino uracils. Influenced Xymedon medicinal preparation (1- (beta-hydroxyethyl) -4,6-dimethyl-1,2-dihydro-2-oksopirimidin) developed as a means of stimulating the regeneration of tissue revealed increased activity of microsomal oxidases human liver. In studies on the model of toxic liver damage in rats have shown hepatoprotective effect xymedon and stimulating its impact on the recovery of the liver tissue. Hepatoprotective properties of the new compound in the series of pyrimidine derivatives L-ascorbate 1-(2-hydroxyethyl)-4,6-dimethyl-1,2-dihydropirimidine-2-one synthesized on the basis Xymedon preparation were firstly investigated on rats under the carbon tetrachloride action. It was shown the differences of biochemical parameters from the reference value and severity of structural-morphological liver violations decreased in comparison with control group under the influence of the compound injected before exposure carbon tetrachloride. Hepatoprotective properties of the investigated compound were more pronounced in comparison with Xymedon. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=hepatoprotectors" title="hepatoprotectors">hepatoprotectors</a>, <a href="https://publications.waset.org/abstracts/search?q=pyrimidine%20derivatives" title=" pyrimidine derivatives"> pyrimidine derivatives</a>, <a href="https://publications.waset.org/abstracts/search?q=toxic%20liver%20damage" title=" toxic liver damage"> toxic liver damage</a>, <a href="https://publications.waset.org/abstracts/search?q=xymedon" title=" xymedon"> xymedon</a> </p> <a href="https://publications.waset.org/abstracts/66545/hepatoprotective-assessment-of-l-ascorbate-1-2-hydroxyethyl-46-dimethyl-1-2-dihydropyrimidine-2-on-exposure-to-carbon-tetrachloride" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/66545.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">425</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">579</span> Therapeutic Effect of Indane 1,3-Dione Derivatives in the Restoration of Insulin Resistance in Human Liver Cells and in Db/Db Mice Model: Biochemical, Physiological and Molecular Insights of Investigation</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Gulnaz%20Khan">Gulnaz Khan</a>, <a href="https://publications.waset.org/abstracts/search?q=Meha%20F.%20Aftab"> Meha F. Aftab</a>, <a href="https://publications.waset.org/abstracts/search?q=Munazza%20Murtaza"> Munazza Murtaza</a>, <a href="https://publications.waset.org/abstracts/search?q=Rizwana%20S.%20Waraich"> Rizwana S. Waraich</a> </p> <p class="card-text"><strong>Abstract:</strong></p> Advanced glycation end products (AGEs) precursor and its abnormal accumulation cause damage to various tissues and organs. AGEs have pathogenic implication in several diseases including diabetes. Existing AGEs inhibitors are not in clinical use, and there is a need for development of novel inhibitors. The present investigation aimed at identifying the novel AGEs inhibitors and assessing their mechanism of action for treating insulin resistance in mice model of diabetes. Novel derivatives of benzylidene of indan-1,3-dione were synthesized. The compounds were selected to study their action mechanism in improving insulin resistance, in vitro, in human hepatocytes and murine adipocytes and then, in vivo, in mice genetic model of diabetes (db/db). Mice were treated with novel derivatives of benzylidene of indane 1,3-dione. AGEs mediated ROS production was measured by dihydroethidium fluorescence assay. AGEs level in the serum of treated mice was observed by ELISA. Gene expression of receptor for AGEs (RAGE), PPAR-gamma, TNF-alpha and GLUT-4 was evaluated by RT-PCR. Glucose uptake was measured by fluorescent method. Microscopy was used to analyze glycogen synthesis in muscle. Among several derivatives of benzylidene of indan-1,3-dione, IDD-24, demonstrated highest inhibition of AGESs. IDD-24 significantly reduced AGEs formation and expression of receptor for advanced glycation end products (RAGE) in fat, liver of db/db mice. Suppression of AGEs mediated ROS production was also observed in hepatocytes and fat cell, after treatment with IDD-24. Glycogen synthesis was increased in muscle tissue of mice treated with IDD-24. In adipocytes, IDD-24 prevented AGEs induced reduced glucose uptake. Mice treated with IDD-24 exhibited increased glucose tolerance, serum adiponectin levels and decreased insulin resistance. The result of present study suggested that IDD-24 can be a possible treatment target to address glycotoxins induced insulin resistance. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=advance%20glycation%20end%20product" title="advance glycation end product">advance glycation end product</a>, <a href="https://publications.waset.org/abstracts/search?q=hyperglycemia" title=" hyperglycemia"> hyperglycemia</a>, <a href="https://publications.waset.org/abstracts/search?q=indan-1" title=" indan-1"> indan-1</a>, <a href="https://publications.waset.org/abstracts/search?q=3-dione" title="3-dione">3-dione</a>, <a href="https://publications.waset.org/abstracts/search?q=insulin%20resistance" title=" insulin resistance"> insulin resistance</a> </p> <a href="https://publications.waset.org/abstracts/81068/therapeutic-effect-of-indane-13-dione-derivatives-in-the-restoration-of-insulin-resistance-in-human-liver-cells-and-in-dbdb-mice-model-biochemical-physiological-and-molecular-insights-of-investigation" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/81068.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">158</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">578</span> Management of Mycotoxin Production and Fungicide Resistance by Targeting Stress Response System in Fungal Pathogens</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Jong%20H.%20Kim">Jong H. Kim</a>, <a href="https://publications.waset.org/abstracts/search?q=Kathleen%20L.%20Chan"> Kathleen L. Chan</a>, <a href="https://publications.waset.org/abstracts/search?q=Luisa%20W.%20Cheng"> Luisa W. Cheng</a> </p> <p class="card-text"><strong>Abstract:</strong></p> Control of fungal pathogens, such as foodborne mycotoxin producers, is problematic as effective antimycotic agents are often very limited. Mycotoxin contamination significantly interferes with the safe production of foods or crops worldwide. Moreover, expansion of fungal resistance to commercial drugs or fungicides is a global human health concern. Therefore, there is a persistent need to enhance the efficacy of commercial antimycotic agents or to develop new intervention strategies. Disruption of the cellular antioxidant system should be an effective method for pathogen control. Such disruption can be achieved with safe, redox-active compounds. Natural phenolic derivatives are potent redox cyclers that inhibit fungal growth through destabilization of the cellular antioxidant system. The goal of this study is to identify novel, redox-active compounds that disrupt the fungal antioxidant system. The identified compounds could also function as sensitizing agents to conventional antimycotics (i.e., chemosensitization) to improve antifungal efficacy. Various benzo derivatives were tested against fungal pathogens. Gene deletion mutants of the yeast Saccharomyces cerevisiae were used as model systems for identifying molecular targets of benzo analogs. The efficacy of identified compounds as potent antifungal agents or as chemosensitizing agents to commercial drugs or fungicides was examined with methods outlined by the Clinical Laboratory Standards Institute or the European Committee on Antimicrobial Susceptibility Testing. Selected benzo derivatives possessed potent antifungal or antimycotoxigenic activity. Molecular analyses by using S. cerevisiae mutants indicated antifungal activity of benzo derivatives was through disruption of cellular antioxidant or cell wall integrity system. Certain benzo analogs screened overcame tolerance of Aspergillus signaling mutants, namely mitogen-activated protein kinase mutants, to fludioxonil fungicide. Synergistic antifungal chemosensitization greatly lowered minimum inhibitory or fungicidal concentrations of test compounds, including inhibitors of mitochondrial respiration. Of note, salicylaldehyde is a potent antimycotic volatile that has some practical application as a fumigant. Altogether, benzo derivatives targeting cellular antioxidant system of fungi (along with cell wall integrity system) effectively suppress fungal growth. Candidate compounds possess the antifungal, antimycotoxigenic or chemosensitizing capacity to augment the efficacy of commercial antifungals. Therefore, chemogenetic approaches can lead to the development of novel antifungal intervention strategies, which enhance the efficacy of established microbe intervention practices and overcome drug/fungicide resistance. Chemosensitization further reduces costs and alleviates negative side effects associated with current antifungal treatments. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=antifungals" title="antifungals">antifungals</a>, <a href="https://publications.waset.org/abstracts/search?q=antioxidant%20system" title=" antioxidant system"> antioxidant system</a>, <a href="https://publications.waset.org/abstracts/search?q=benzo%20derivatives" title=" benzo derivatives"> benzo derivatives</a>, <a href="https://publications.waset.org/abstracts/search?q=chemosensitization" title=" chemosensitization"> chemosensitization</a> </p> <a href="https://publications.waset.org/abstracts/66512/management-of-mycotoxin-production-and-fungicide-resistance-by-targeting-stress-response-system-in-fungal-pathogens" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/66512.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">262</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">577</span> Synthesis of Quinazoline Derivatives as Selective Inhibitors of Cyclooxygenase-1 Enzyme</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Marcela%20Dvorakova">Marcela Dvorakova</a>, <a href="https://publications.waset.org/abstracts/search?q=Lenka%20Langhansova"> Lenka Langhansova</a>, <a href="https://publications.waset.org/abstracts/search?q=Premysl%20Landa"> Premysl Landa</a> </p> <p class="card-text"><strong>Abstract:</strong></p> A series of quinazoline derivatives bearing aromatic rings in 2- and 4-positions were prepared and tested for their biological activity. Firstly, the compounds were evaluated for their potential to inhibit various kinases, such as autophagy activating kinase ULK1, 3-Phosphoinositide-dependent kinase 1, and TANK-binding kinase 1. None of the compounds displayed any activity on these kinases. Secondly, the compounds were tested for their anti-inflammatory activity expressed as cyclooxygenase (COX) isoforms and 5-lipoxygenase (5-LOX) inhibition. Three of the compounds showed significant selectivity towards COX-1 isoform (COX-2/COX-1 SI = 20-30). They inhibited COX-1 in a single-digit µM range. There was also one compound that exhibited inhibitory activity towards all three tested enzymes in µM range (IC50COX-1 = 1.9 µM; IC50COX-2 and 5-LOX = 10.1µM. COX-1 inhibition was until recently considered undesirable due to COX-1 constitutive expression in most cell types and tissues. Thus, there are not many compounds known with selective COX-1 activity. However, it is now believed that COX-1 plays an important role in the pathophysiology of several acute and chronic disorders, including cancer or neurodegenerative diseases. Thus, the discovery of effective COX-1 selective inhibitors is desirable and important. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=cyclooxygenases" title="cyclooxygenases">cyclooxygenases</a>, <a href="https://publications.waset.org/abstracts/search?q=kinases" title=" kinases"> kinases</a>, <a href="https://publications.waset.org/abstracts/search?q=lipoxygenases" title=" lipoxygenases"> lipoxygenases</a>, <a href="https://publications.waset.org/abstracts/search?q=quinazolines" title=" quinazolines"> quinazolines</a> </p> <a href="https://publications.waset.org/abstracts/116537/synthesis-of-quinazoline-derivatives-as-selective-inhibitors-of-cyclooxygenase-1-enzyme" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/116537.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">135</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">576</span> Development, Optimization, and Validation of a Synchronous Fluorescence Spectroscopic Method with Multivariate Calibration for the Determination of Amlodipine and Olmesartan Implementing: Experimental Design</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Noha%20Ibrahim">Noha Ibrahim</a>, <a href="https://publications.waset.org/abstracts/search?q=Eman%20S.%20Elzanfaly"> Eman S. Elzanfaly</a>, <a href="https://publications.waset.org/abstracts/search?q=Said%20A.%20Hassan"> Said A. Hassan</a>, <a href="https://publications.waset.org/abstracts/search?q=Ahmed%20E.%20El%20Gendy"> Ahmed E. El Gendy</a> </p> <p class="card-text"><strong>Abstract:</strong></p> Objectives: The purpose of the study is to develop a sensitive synchronous spectrofluorimetric method with multivariate calibration after studying and optimizing the different variables affecting the native fluorescence intensity of amlodipine and olmesartan implementing an experimental design approach. Method: In the first step, the fractional factorial design used to screen independent factors affecting the intensity of both drugs. The objective of the second step was to optimize the method performance using a Central Composite Face-centred (CCF) design. The optimal experimental conditions obtained from this study were; a temperature of (15°C ± 0.5), the solvent of 0.05N HCl and methanol with a ratio of (90:10, v/v respectively), Δλ of 42 and the addition of 1.48 % surfactant providing a sensitive measurement of amlodipine and olmesartan. The resolution of the binary mixture with a multivariate calibration method has been accomplished mainly by using partial least squares (PLS) model. Results: The recovery percentage for amlodipine besylate and atorvastatin calcium in tablets dosage form were found to be (102 ± 0.24, 99.56 ± 0.10, for amlodipine and Olmesartan, respectively). Conclusion: Method is valid according to some International Conference on Harmonization (ICH) guidelines, providing to be linear over a range of 200-300, 500-1500 ng mL⁻¹ for amlodipine and Olmesartan. The methods were successful to estimate amlodipine besylate and olmesartan in bulk powder and pharmaceutical preparation. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=amlodipine" title="amlodipine">amlodipine</a>, <a href="https://publications.waset.org/abstracts/search?q=central%20composite%20face-centred%20design" title=" central composite face-centred design"> central composite face-centred design</a>, <a href="https://publications.waset.org/abstracts/search?q=experimental%20design" title=" experimental design"> experimental design</a>, <a href="https://publications.waset.org/abstracts/search?q=fractional%20factorial%20design" title=" fractional factorial design"> fractional factorial design</a>, <a href="https://publications.waset.org/abstracts/search?q=multivariate%20calibration" title=" multivariate calibration"> multivariate calibration</a>, <a href="https://publications.waset.org/abstracts/search?q=olmesartan" title=" olmesartan"> olmesartan</a> </p> <a href="https://publications.waset.org/abstracts/120092/development-optimization-and-validation-of-a-synchronous-fluorescence-spectroscopic-method-with-multivariate-calibration-for-the-determination-of-amlodipine-and-olmesartan-implementing-experimental-design" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/120092.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">150</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">575</span> Numerical Simulation of the Fractional Flow Reserve in the Coronary Artery with Serial Stenoses of Varying Configuration</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Mariia%20Timofeeva">Mariia Timofeeva</a>, <a href="https://publications.waset.org/abstracts/search?q=Andrew%20Ooi"> Andrew Ooi</a>, <a href="https://publications.waset.org/abstracts/search?q=Eric%20K.%20W.%20Poon"> Eric K. W. Poon</a>, <a href="https://publications.waset.org/abstracts/search?q=Peter%20Barlis"> Peter Barlis</a> </p> <p class="card-text"><strong>Abstract:</strong></p> Atherosclerotic plaque build-up, commonly known as stenosis, limits blood flow and hence oxygen and nutrient supplies to the heart muscle. Thus, assessment of its severity is of great interest to health professionals. Numerical simulation of the fractional flow reserve (FFR) has proved to be well correlated with invasively measured FFR used for physiological assessment of the severity of coronary stenosis in arteries. Atherosclerosis may impact the diseased artery in several locations causing serial stenoses, which is a complicated subset of coronary artery disease that requires careful treatment planning. However, hemodynamic of the serial sequential stenoses in coronary arteries has not been extensively studied. The hemodynamics of the serial stenoses is complex because the stenoses in the series interact and affect the flow through each other. To address this, serial stenoses in a 3.4 mm left anterior descending (LAD) artery are examined in this study. Two diameter stenoses (DS) are considered, 30 and 50 percent of the reference diameter. Serial stenoses configurations are divided into three groups based on the order of the stenoses in the series, spacing between them, and deviation of the stenoses’ symmetry (eccentricity). A patient-specific pulsatile waveform is used in the simulations. Blood flow within the stenotic artery is assumed to be laminar, Newtonian, and incompressible. Results for the FFR are reported. Based on the simulation results, it can be deduced that the larger drop in pressure (smaller value of the FFR) is expected when the percentage of the second stenosis in the series is bigger. Varying the distance between the stenoses affects the location of the maximum drop in the pressure, while the minimal FFR in the artery remains unchanged. Eccentric serial stenoses are characterized by a noticeably larger decrease in pressure through the stenoses and by the development of the chaotic flow downstream of the stenoses. The largest drop in the pressure (about 4% difference compared to the axisymmetric case) is obtained for the serial stenoses, where both the stenoses are highly eccentric with the centerlines deflected to the different sides of the LAD. In conclusion, varying configuration of the sequential serial stenoses results in a different distribution of FFR through the LAD. Results presented in this study provide insight into the clinical assessment of the severity of the coronary serial stenoses, which is proved to depend on the relative position of the stenoses and the deviation of the stenoses’ symmetry. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=computational%20fluid%20dynamics" title="computational fluid dynamics">computational fluid dynamics</a>, <a href="https://publications.waset.org/abstracts/search?q=coronary%20artery" title=" coronary artery"> coronary artery</a>, <a href="https://publications.waset.org/abstracts/search?q=fractional%20flow%20reserve" title=" fractional flow reserve"> fractional flow reserve</a>, <a href="https://publications.waset.org/abstracts/search?q=serial%20stenoses" title=" serial stenoses"> serial stenoses</a> </p> <a href="https://publications.waset.org/abstracts/139614/numerical-simulation-of-the-fractional-flow-reserve-in-the-coronary-artery-with-serial-stenoses-of-varying-configuration" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/139614.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">182</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">574</span> An Analytical Study of Small Unmanned Arial Vehicle Dynamic Stability Characteristics</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Abdelhakam%20A.%20Noreldien">Abdelhakam A. Noreldien</a>, <a href="https://publications.waset.org/abstracts/search?q=Sakhr%20B.%20Abudarag"> Sakhr B. Abudarag</a>, <a href="https://publications.waset.org/abstracts/search?q=Muslim%20S.%20Eltoum"> Muslim S. Eltoum</a>, <a href="https://publications.waset.org/abstracts/search?q=Salih%20O.%20Osman"> Salih O. Osman</a> </p> <p class="card-text"><strong>Abstract:</strong></p> This paper presents an analytical study of Small Unmanned Aerial Vehicle (SUAV) dynamic stability derivatives. Simulating SUAV dynamics and analyzing its behavior at the earliest design stages is too important and more efficient design aspect. The approach suggested in this paper is using the wind tunnel experiment to collect the aerodynamic data and get the dynamic stability derivatives. AutoCAD Software was used to draw the case study (wildlife surveillance SUAV). The SUAV is scaled down to be 0.25% of the real SUAV dimensions and converted to a wind tunnel model. The model was tested in three different speeds for three different attitudes which are; pitch, roll and yaw. The wind tunnel results were then used to determine the case study stability derivative values, and hence it used to calculate the roots of the characteristic equation for both longitudinal and lateral motions. Finally, the characteristic equation roots were found and discussed in all possible cases. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=model" title="model">model</a>, <a href="https://publications.waset.org/abstracts/search?q=simulating" title=" simulating"> simulating</a>, <a href="https://publications.waset.org/abstracts/search?q=SUAV" title=" SUAV"> SUAV</a>, <a href="https://publications.waset.org/abstracts/search?q=wind%20tunnel" title=" wind tunnel"> wind tunnel</a> </p> <a href="https://publications.waset.org/abstracts/37666/an-analytical-study-of-small-unmanned-arial-vehicle-dynamic-stability-characteristics" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/37666.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">375</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">573</span> Quantitative Structure-Activity Relationship Modeling of Detoxication Properties of Some 1,2-Dithiole-3-Thione Derivatives</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Nadjib%20Melkemi">Nadjib Melkemi</a>, <a href="https://publications.waset.org/abstracts/search?q=Salah%20Belaidi"> Salah Belaidi</a> </p> <p class="card-text"><strong>Abstract:</strong></p> Quantitative Structure-Activity Relationship (QSAR) studies have been performed on nineteen molecules of 1,2-dithiole-3-thione analogues. The compounds used are the potent inducers of enzymes involved in the maintenance of reduced glutathione pools as well as phase-2 enzymes important to electrophile detoxication. A multiple linear regression (MLR) procedure was used to design the relationships between molecular descriptor and detoxication properties of the 1,2-dithiole-3-thione derivatives. The predictivity of the model was estimated by cross-validation with the leave-one-out method. Our results suggest a QSAR model based of the following descriptors: qS2, qC3, qC5, qS6, DM, Pol, log P, MV, SAG, HE and EHOMO for the specific activity of quinone reductase; qS1, qS2, qC3, qC4, qC5, qS6, DM, Pol, logP, MV, SAG, HE and EHOMO for the production of growth hormone. To confirm the predictive power of the models, an external set of molecules was used. High correlation between experimental and predicted activity values was observed, indicating the validation and the good quality of the derived QSAR models. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=QSAR" title="QSAR">QSAR</a>, <a href="https://publications.waset.org/abstracts/search?q=quinone%20reductase%20activity" title=" quinone reductase activity"> quinone reductase activity</a>, <a href="https://publications.waset.org/abstracts/search?q=production%20of%20growth%20hormone" title=" production of growth hormone"> production of growth hormone</a>, <a href="https://publications.waset.org/abstracts/search?q=MLR" title=" MLR"> MLR</a> </p> <a href="https://publications.waset.org/abstracts/7137/quantitative-structure-activity-relationship-modeling-of-detoxication-properties-of-some-12-dithiole-3-thione-derivatives" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/7137.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">350</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">572</span> Curcumin Derivatives as Potent Inhibitors of Inducible Nitric Oxide Synthase in Osteoarthritis: A Molecular Docking Study</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=F.%20Ambreen">F. Ambreen</a>, <a href="https://publications.waset.org/abstracts/search?q=A.Naheed"> A.Naheed</a> </p> <p class="card-text"><strong>Abstract:</strong></p> Osteoarthritis (OA) is a degenerative disorder affecting millions of people worldwide. Nitric oxide (NO) was found to play a catabolic role in the development of osteoarthritis. It is a toxic free radical gas generated during the metabolism of L-arginine by the enzyme Nitric oxide synthase (NOS). Inducible Nitric Oxide Synthase (iNOS) is one of the isoform of NOS, and its overexpression leads to the excessive formation of NO that results in pathophysiological joint conditions. Several synthetic anti-inflammatory drugs and inhibitors are present to date, but all showed side effects and complications. Therefore, the pursuit of natural disease-modifying drugs remains a top priority. Curcumin is an active component of turmeric, and the past few decades have witnessed intense research devoted to the antioxidant and anti-inflammatory properties of curcumin. The present study focused on curcumin and its derivatives in the search for new iNOS inhibitors for the treatment of osteoarthritis. We conducted a molecular docking study on curcumin and its four derivatives; cyclocurcumin, tetrahydrocurcumin, demethoxycurcumin and curcumin monoglucoside with iNOS using CLC Drug discovery work bench 3.02. We selected two co-crystallized ligands for this study; tetrahydrobiopterin and N-omega-propyl-L-arginine present in complex with the enzyme iNOS. Results showed the best binding affinity of N-omega-propyl-L-arginine with cyclocurcumin and curcumin monoglucoside that exhibit binding energies of -65.2 kcal/mol and -68 kcal/mol respectively. Whereas with tetrahydrobiopterin, best binding scores of -64.7 kcal/mol and -62.2 kcal/mol were found with tetrahydrocurcumin and demethoxycurcumin respectively. This information could open doors of research for the designing of novel drugs using herbs such as curcumin for the treatment of inflammatory joint diseases. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=curcumin" title="curcumin">curcumin</a>, <a href="https://publications.waset.org/abstracts/search?q=iNOS" title=" iNOS"> iNOS</a>, <a href="https://publications.waset.org/abstracts/search?q=molecular%20docking" title=" molecular docking"> molecular docking</a>, <a href="https://publications.waset.org/abstracts/search?q=osteoarthritis" title=" osteoarthritis"> osteoarthritis</a> </p> <a href="https://publications.waset.org/abstracts/76985/curcumin-derivatives-as-potent-inhibitors-of-inducible-nitric-oxide-synthase-in-osteoarthritis-a-molecular-docking-study" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/76985.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">129</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">571</span> An Overview of Structure Based Activity Outcomes of Pyran Derivatives Against Alzheimer’s Disease</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Faisal%20Almalki">Faisal Almalki</a> </p> <p class="card-text"><strong>Abstract:</strong></p> Pyran is a heterocyclic group containing oxygen that possesses a variety of pharmacological effects. Pyran is also one of the most prevalent structural subunits in natural products, such as xanthones, coumarins, flavonoids, benzopyrans, etc. Additionally demonstrating the neuroprotective properties of pyrans is the fact that this heterocycle has recently attracted the attention of scientists worldwide. Alzheimer's Disease (AD) treatment and diagnosis are two of the most critical research objectives worldwide. Increased amounts of extracellular senile plaques, intracellular neurofibrillary tangles, and a progressive shutdown of cholinergic basal forebrain neuron transmission are often related with cognitive impairment. This review highlights the various pyran scaffolds of natural and synthetic origin that are effective in the treatment of AD. For better understanding synthetic compounds are categorized as different types of pyran derivatives like chromene, flavone, xanthone, xanthene, etc. The discussion encompasses both the structure-activity correlations of these compounds as well as their activity against AD. Because of the intriguing actions that were uncovered by these pyran-based scaffolds, there is no question that they are at the forefront of the search for potential medication candidates that could treat Alzheimer's disease. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=alzheimer%E2%80%99s%20disease" title="alzheimer’s disease">alzheimer’s disease</a>, <a href="https://publications.waset.org/abstracts/search?q=pyran" title=" pyran"> pyran</a>, <a href="https://publications.waset.org/abstracts/search?q=coumarin" title=" coumarin"> coumarin</a>, <a href="https://publications.waset.org/abstracts/search?q=xanthone" title=" xanthone"> xanthone</a> </p> <a href="https://publications.waset.org/abstracts/174335/an-overview-of-structure-based-activity-outcomes-of-pyran-derivatives-against-alzheimers-disease" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/174335.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">74</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">570</span> Quantitative Structure Activity Relationship and Insilco Docking of Substituted 1,3,4-Oxadiazole Derivatives as Potential Glucosamine-6-Phosphate Synthase Inhibitors</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Suman%20Bala">Suman Bala</a>, <a href="https://publications.waset.org/abstracts/search?q=Sunil%20Kamboj"> Sunil Kamboj</a>, <a href="https://publications.waset.org/abstracts/search?q=Vipin%20Saini"> Vipin Saini</a> </p> <p class="card-text"><strong>Abstract:</strong></p> Quantitative Structure Activity Relationship (QSAR) analysis has been developed to relate antifungal activity of novel substituted 1,3,4-oxadiazole against <em>Candida albicans</em> and <em>Aspergillus niger</em> using computer assisted multiple regression analysis. The study has shown the better relationship between antifungal activities with respect to various descriptors established by multiple regression analysis. The analysis has shown statistically significant correlation with R<sup>2</sup> values 0.932 and 0.782 against <em>Candida albicans</em> and <em>Aspergillus niger</em> respectively. These derivatives were further subjected to molecular docking studies to investigate the interactions between the target compounds and amino acid residues present in the active site of glucosamine-6-phosphate synthase. All the synthesized compounds have better docking score as compared to standard fluconazole. Our results could be used for the further design as well as development of optimal and potential antifungal agents. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=1" title="1">1</a>, <a href="https://publications.waset.org/abstracts/search?q=3" title="3">3</a>, <a href="https://publications.waset.org/abstracts/search?q=4-oxadiazole" title="4-oxadiazole">4-oxadiazole</a>, <a href="https://publications.waset.org/abstracts/search?q=QSAR" title=" QSAR"> QSAR</a>, <a href="https://publications.waset.org/abstracts/search?q=multiple%20linear%20regression" title=" multiple linear regression"> multiple linear regression</a>, <a href="https://publications.waset.org/abstracts/search?q=docking" title=" docking"> docking</a>, <a href="https://publications.waset.org/abstracts/search?q=glucosamine-6-phosphate%20synthase" title=" glucosamine-6-phosphate synthase"> glucosamine-6-phosphate synthase</a> </p> <a href="https://publications.waset.org/abstracts/37494/quantitative-structure-activity-relationship-and-insilco-docking-of-substituted-134-oxadiazole-derivatives-as-potential-glucosamine-6-phosphate-synthase-inhibitors" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/37494.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">341</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">569</span> Enhancing Reused Lubricating Oil Performance Using Novel Ionic Liquids Based on Imidazolium Derivatives</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Mohamed%20Deyab">Mohamed Deyab</a> </p> <p class="card-text"><strong>Abstract:</strong></p> The global lubricant additives market size was USD 14.35 billion in 2015. The industry is characterized by increasing additive usage in base oil blending for longer service life and performance. These additives improve the viscosity of oil, act as detergents, defoamers, antioxidants, and antiwear agents. Since additives play a significant role in base oil blending and subsequent formulations as they are critical materials in improving specification and performance of oils. Herein, we report on the synthesis and characterization of three imidazolium derivatives and their application as antioxidants, detergents and antiwear agents. The molecular structure and characterizations of these ionic liquids were confirmed by elemental analysis, FTIR, X-Ray Diffraction (XRD) and 1HNMR spectroscopy. Thermo gravimetric analysis (TGA), is used to study the degradation and thermal stability of the studied base stock samples. It was found that all the prepared ionic liquids additives have excellent power of dispersion and detergency. The ionic liquids as additives to engine oil reduced the friction (38%) and wear volume (76%) of steel balls. The obtained results show that the ionic liquids have an oxidation inhibitor up to 95%. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=reused%20lubricating%20oil" title="reused lubricating oil">reused lubricating oil</a>, <a href="https://publications.waset.org/abstracts/search?q=waste" title=" waste"> waste</a>, <a href="https://publications.waset.org/abstracts/search?q=petroleum" title=" petroleum"> petroleum</a>, <a href="https://publications.waset.org/abstracts/search?q=ionic%20liquids" title=" ionic liquids"> ionic liquids</a> </p> <a href="https://publications.waset.org/abstracts/145781/enhancing-reused-lubricating-oil-performance-using-novel-ionic-liquids-based-on-imidazolium-derivatives" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/145781.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">138</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">568</span> Design and Synthesis of Some Pyrimidine Derivatives as Bruton’s Tyrosine Kinase Inhibitors for Hematologic Malignancies</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Ibrahim%20M.%20Labouta">Ibrahim M. Labouta</a>, <a href="https://publications.waset.org/abstracts/search?q=Gina%20N.%20Tageldin"> Gina N. Tageldin</a>, <a href="https://publications.waset.org/abstracts/search?q=Salwa%20M.%20Fahmy"> Salwa M. Fahmy</a>, <a href="https://publications.waset.org/abstracts/search?q=Hayam%20M.%20Ashour"> Hayam M. Ashour</a>, <a href="https://publications.waset.org/abstracts/search?q=Mounir%20A.%20Khalil"> Mounir A. Khalil</a>, <a href="https://publications.waset.org/abstracts/search?q=Tamer%20M.%20Ibrahim"> Tamer M. Ibrahim</a>, <a href="https://publications.waset.org/abstracts/search?q=Nefertiti%20A.%20El-Nikhely"> Nefertiti A. El-Nikhely</a> </p> <p class="card-text"><strong>Abstract:</strong></p> Bruton’s tyrosine kinase (BTK) is a critical effector molecule in B cell antigen receptor (BCR) signaling transduction. It regulates B cell proliferation, development and survival. Since BTK is widely expressed in many B cell leukaemias and lymphomas, targeting BTK by small molecules inhibitors became an attractive idea as new treatment modalities for B cell mediated hematologic malignancies. Ibrutinib is the 1st generation BTK inhibitor, approved by FDA for treatment of relapsed mantle cell lymphoma (MCL) and chronic lymphocytic leukemia (CLL). It binds irreversibly to the unique cysteine (Cys481) within the ATP-binding pocket of BTK. Besides ibrutinib, many irreversible covalent BTK inhibitors comprising pyrimidine nucleus such as spebrutinib (phase IIb) showed high selectivity and potency when compared to it. In this study, the designed compounds were based on 5-cyano-2-methylsulfanyl pyrimidine core and decorated with electrophilic warheads which are essential for the optimal activity for targeted covalent inhibition (TCI). However, modifications at pyrimidine C4 or C6 were made by introduction of substituted amines which are provided to behave differently. The synthesized derivatives were evaluated for their anticancer activity in leukemia cell lines (e.g. THP-1). Results showed that, some derivatives exhibited antiproliferative activity with IC50 ranged from 5-50 μM, The in vitro enzymatic inhibitory assay for these compounds against BTK is still under investigation. Nevertheless, we could conclude from the initial biological screening that, the synthesized 4 or 6-subsitituted aminopyrimidines represent promising and novel antileukemic agents. Meanwhile, further studies are still needed to attribute this activity through targeting BTK enzyme and inhibition of BCR signaling pathway. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=BTK%20inhibitors" title="BTK inhibitors">BTK inhibitors</a>, <a href="https://publications.waset.org/abstracts/search?q=hematologic%20malignancies" title=" hematologic malignancies"> hematologic malignancies</a>, <a href="https://publications.waset.org/abstracts/search?q=structure%20based%20drug%20design%20%28SBDD%29" title=" structure based drug design (SBDD)"> structure based drug design (SBDD)</a>, <a href="https://publications.waset.org/abstracts/search?q=targeted%20covalent%20inhibitors%20%28TCI%29" title=" targeted covalent inhibitors (TCI)"> targeted covalent inhibitors (TCI)</a> </p> <a href="https://publications.waset.org/abstracts/120895/design-and-synthesis-of-some-pyrimidine-derivatives-as-brutons-tyrosine-kinase-inhibitors-for-hematologic-malignancies" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/120895.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">148</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">567</span> Synthesis of (S)-Naproxen Based Amide Bond Forming Chiral Reagent and Application for Liquid Chromatographic Resolution of (RS)-Salbutamol</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Poonam%20Malik">Poonam Malik</a>, <a href="https://publications.waset.org/abstracts/search?q=Ravi%20Bhushan"> Ravi Bhushan</a> </p> <p class="card-text"><strong>Abstract:</strong></p> This work describes a very efficient approach for synthesis of activated ester of (S)-naproxen which was characterized by UV, IR, ¹HNMR, elemental analysis and polarimetric studies. It was used as a C-N bond forming chiral derivatizing reagent for further synthesis of diastereomeric amides of (RS)-salbutamol (a β₂ agonist that belongs to the group β-adrenolytic and is marketed as racamate) under microwave irradiation. The diastereomeric pair was separated by achiral phase HPLC, using mobile phase in gradient mode containing methanol and aqueous triethylaminephosphate (TEAP); separation conditions were optimized with respect to pH, flow rate, and buffer concentration and the method of separation was validated as per International Council for Harmonisation (ICH) guidelines. The reagent proved to be very effective for on-line sensitive detection of the diastereomers with very low limit of detection (LOD) values of 0.69 and 0.57 ng mL⁻¹ for diastereomeric derivatives of (S)- and (R)-salbutamol, respectively. The retention times were greatly reduced (2.7 min) with less consumption of organic solvents and large (α) as compared to literature reports. Besides, the diastereomeric derivatives were separated and isolated by preparative HPLC; these were characterized and were used as standard reference samples for recording ¹HNMR and IR spectra for determining absolute conﬁguration and elution order; it ensured the success of diastereomeric synthesis and established the reliability of enantioseparation and eliminated the requirement of pure enantiomer of the analyte which is generally not available. The newly developed reagent can suitably be applied to several other amino group containing compounds either from organic syntheses or pharmaceutical industries because the presence of (S)-Npx as a strong chromophore would allow sensitive detection.This work is significant not only in the area of enantioseparation and determination of absolute configuration of diastereomeric derivatives but also in the area of developing new chiral derivatizing reagents (CDRs). <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=chiral%20derivatizing%20reagent" title="chiral derivatizing reagent">chiral derivatizing reagent</a>, <a href="https://publications.waset.org/abstracts/search?q=naproxen" title=" naproxen"> naproxen</a>, <a href="https://publications.waset.org/abstracts/search?q=salbutamol" title=" salbutamol"> salbutamol</a>, <a href="https://publications.waset.org/abstracts/search?q=synthesis" title=" synthesis"> synthesis</a> </p> <a href="https://publications.waset.org/abstracts/85586/synthesis-of-s-naproxen-based-amide-bond-forming-chiral-reagent-and-application-for-liquid-chromatographic-resolution-of-rs-salbutamol" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/85586.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">155</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">566</span> Environmentally Benign Synthesis of 2-Pyrazolines and Cyclohexenones Incorporating Naphthalene Moiety and Their Antimicrobial Evaluation</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Al-Bogami%20Abdullah%20Saad">Al-Bogami Abdullah Saad </a> </p> <p class="card-text"><strong>Abstract:</strong></p> We reported the environmental benign synthesis of chalcones, 2-pyrazolines and cyclohexanones under microwave irradiation. Chalcones were obtained by the condensation of each of 2-hydroxyacetophenone derivatives with α-naphthaldehyde under microwave irradiation. The condensation reactions of each of synthesized chalcones with phenyl hydrazine under microwave irradiation in the presence of dry acetic acid as a cyclizing agent gave 2-pyrazolines. Also, the new cyclohexenone derivatives, valuable intermediates to synthesize fused heterocycles, have been prepared by the cyclocondensation of each of hydroxychalcones with ethyl acetoacetate. The structures of the synthesized compounds were elucidated by Infrared (IR) spectrometry, Nuclear Magnetic Resonance (NMR), Mass Spectrometry(MS) and elmental analysis. The results indicate that unlike classical heating, microwave irradiation results in higher yields with shorter and cleaner reactions. The synthesized compounds were screened for antimicrobial activity against Staphylococcus aureus, Escherichia coli, Candida Albicans and Aspergillus niger. We clarified the effects of different substituents in the tested compounds on the obtaind antibacterial activities and antifungal activities. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=microwave%20irradiation" title="microwave irradiation">microwave irradiation</a>, <a href="https://publications.waset.org/abstracts/search?q=2-Hydroxyacetophenone" title=" 2-Hydroxyacetophenone"> 2-Hydroxyacetophenone</a>, <a href="https://publications.waset.org/abstracts/search?q=%CE%B1-Naphthaldehyde" title=" α-Naphthaldehyde"> α-Naphthaldehyde</a>, <a href="https://publications.waset.org/abstracts/search?q=pyrazoline" title=" pyrazoline"> pyrazoline</a>, <a href="https://publications.waset.org/abstracts/search?q=cyclohexenone" title=" cyclohexenone"> cyclohexenone</a>, <a href="https://publications.waset.org/abstracts/search?q=antimicrobial%20activity" title=" antimicrobial activity"> antimicrobial activity</a> </p> <a href="https://publications.waset.org/abstracts/30468/environmentally-benign-synthesis-of-2-pyrazolines-and-cyclohexenones-incorporating-naphthalene-moiety-and-their-antimicrobial-evaluation" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/30468.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">338</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">565</span> Synthesis, Computational Studies, Antioxidant and Anti-Inflammatory Bio-Evaluation of 2,5-Disubstituted- 1,3,4-Oxadiazole Derivatives</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Sibghat%20Mansoor%20Rana">Sibghat Mansoor Rana</a>, <a href="https://publications.waset.org/abstracts/search?q=Muhammad%20Islam"> Muhammad Islam</a>, <a href="https://publications.waset.org/abstracts/search?q=Hamid%20Saeed"> Hamid Saeed</a>, <a href="https://publications.waset.org/abstracts/search?q=Hummera%20Rafique"> Hummera Rafique</a>, <a href="https://publications.waset.org/abstracts/search?q=Muhammad%20Majid"> Muhammad Majid</a>, <a href="https://publications.waset.org/abstracts/search?q=Muhammad%20Tahir%20Aqeel"> Muhammad Tahir Aqeel</a>, <a href="https://publications.waset.org/abstracts/search?q=Fariha%20Imtiaz"> Fariha Imtiaz</a>, <a href="https://publications.waset.org/abstracts/search?q=Zaman%20Ashraf"> Zaman Ashraf</a> </p> <p class="card-text"><strong>Abstract:</strong></p> The 1,3,4-oxadiazole derivatives Ox-6a-f have been synthesized by incorporating flur- biprofen moiety with the aim to explore the potential of target molecules to decrease the oxidative stress. The title compounds Ox-6a-f were prepared by simple reactions in which a flurbiprofen –COOH group was esterified with methanol in an acid-catalyzed medium, which was then reacted with hydrazine to afford the corresponding hydrazide. The acid hydrazide was then cyclized into 1,3,4-oxadiazole-2-thiol by reacting with CS2 in the presence of KOH. The title compounds Ox-6a-f were synthesized by the reaction of an –SH group with various alkyl/aryl chlorides, which involves an S-alkylation reaction. The structures of the synthesized Ox-6a-f derivatives were ascer- tained by spectroscopic data. The in silico molecular docking was performed against target proteins cyclooxygenase-2 COX-2 (PDBID 5KIR) and cyclooxygenase-1 COX-1 (PDBID 6Y3C) to determine the binding affinity of the synthesized compounds with these structures. It has been inferred that most of the synthesized compounds bind well with an active binding site of 5KIR compared to 6Y3C, and especially compound Ox-6f showed excellent binding affinity (7.70 kcal/mol) among all synthesized compounds Ox-6a-f. The molecular dynamic (MD) simulation has also been performed to check the stability of docking complexes of ligands with COX-2 by determining their root mean square deviation and root mean square fluctuation. Little fluctuation was observed in case of Ox-6f, which forms the most stable complex with COX-2. The comprehensive antioxidant potential of the synthesized compounds has been evaluated by determining their free radical scavenging activity, including DPPH, OH, nitric oxide (NO), and iron chelation assay. The derivative Ox-6f showed promising results with 80.23% radical scavenging potential at a dose of 100 μg/mL while ascorbic acid exhibited 87.72% inhibition at the same dose. The anti-inflammatory activity of the final products has also been performed, and inflammatory markers were assayed, such as a thiobarbituric acid-reducing substance, nitric oxide, interleukin-6 (IL-6), and COX-2. The derivatives Ox-6d and Ox-6f displayed higher anti-inflammatory activity, exhibiting 70.56% and 74.16% activity, respectively. The results were compared with standard ibuprofen, which showed 84.31% activity at the same dose, 200 μg/mL. The anti-inflammatory potential has been performed by following the carrageen-induced hind paw edema model, and results showed that derivative Ox-6f exhibited 79.83% reduction in edema volume compared to standard ibuprofen, which reduced 84.31% edema volume. As dry lab and wet lab results confirm each other, it has been deduced that derivative Ox-6f may serve as the lead structure to design potent compounds to address oxidative stress. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=synthetic%20chemistry" title="synthetic chemistry">synthetic chemistry</a>, <a href="https://publications.waset.org/abstracts/search?q=pharmaceutical%20chemistry" title=" pharmaceutical chemistry"> pharmaceutical chemistry</a>, <a href="https://publications.waset.org/abstracts/search?q=oxadiazole%20derivatives" title=" oxadiazole derivatives"> oxadiazole derivatives</a>, <a href="https://publications.waset.org/abstracts/search?q=anti-inflammatory" title=" anti-inflammatory"> anti-inflammatory</a>, <a href="https://publications.waset.org/abstracts/search?q=anti-cancer%20compounds" title=" anti-cancer compounds"> anti-cancer compounds</a> </p> <a href="https://publications.waset.org/abstracts/193708/synthesis-computational-studies-antioxidant-and-anti-inflammatory-bio-evaluation-of-25-disubstituted-134-oxadiazole-derivatives" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/193708.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">15</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">564</span> Synthesis and Evaluation of Antioxidant Behavior of Some Indole-Based Melatonin Derivatives</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Eddy%20Neuhaus">Eddy Neuhaus</a>, <a href="https://publications.waset.org/abstracts/search?q=Hanif%20Shirinzadeh"> Hanif Shirinzadeh</a>, <a href="https://publications.waset.org/abstracts/search?q=Cigdem%20Karaaslan"> Cigdem Karaaslan</a>, <a href="https://publications.waset.org/abstracts/search?q=Elif%20Ince"> Elif Ince</a>, <a href="https://publications.waset.org/abstracts/search?q=Hande%20Gurer-Orhan"> Hande Gurer-Orhan</a>, <a href="https://publications.waset.org/abstracts/search?q=Sibel%20Suzen"> Sibel Suzen</a> </p> <p class="card-text"><strong>Abstract:</strong></p> Reactive oxygen species (ROS) and oxidative stress can cause fatal damage to essential cell structures, including DNA. It is known that use of antioxidants could be advantageous in the prevention of various diseases such as cancer, cardiovascular diseases and neurodegenerative disorders. Since antioxidant properties of the indole ring-containing melatonin (MLT) has been described and evaluated, MLT-related compounds such as MLT metabolites and synthetic analogues are under investigation to determine which exhibit the highest activity with the lowest side-effects. Owing to indole and hydrazones appealing physiological properties and are mostly found in numerous biologically active compounds a series of indole-7-carbaldehyde hydrazone derivatives were synthesized, characterized and in vitro antioxidant activity was investigated by evaluating their reducing effect against oxidation of a redox-sensitive fluorescent probe. Cytotoxicity potential of all indole-based MLT analogues was investigated both by lactate dehydrogenase leakage assay and by MTT assay. This work was supported by The Scientific and Technological Research Council of Turkey (TÜBİTAK) Research and Development Grant 112S599. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=melatonin" title="melatonin">melatonin</a>, <a href="https://publications.waset.org/abstracts/search?q=antioxidant%20activity" title=" antioxidant activity"> antioxidant activity</a>, <a href="https://publications.waset.org/abstracts/search?q=indole" title=" indole"> indole</a>, <a href="https://publications.waset.org/abstracts/search?q=hydrazone" title=" hydrazone"> hydrazone</a>, <a href="https://publications.waset.org/abstracts/search?q=oxidative%20stress" title=" oxidative stress"> oxidative stress</a> </p> <a href="https://publications.waset.org/abstracts/19943/synthesis-and-evaluation-of-antioxidant-behavior-of-some-indole-based-melatonin-derivatives" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/19943.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">483</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">563</span> Biosynthesis and Metabolism of Anthraquinone Derivatives</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Dmitry%20Yu.%20Korulkin">Dmitry Yu. Korulkin</a>, <a href="https://publications.waset.org/abstracts/search?q=Raissa%20A.%20Muzychkina"> Raissa A. Muzychkina</a> </p> <p class="card-text"><strong>Abstract:</strong></p> In review the generalized data about biosynthetic routs formation anthraquinone molecules in natural cells. The basic possibilities of various ways of biosynthesis of different quinoid substances are shown. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=anthraquinones" title="anthraquinones">anthraquinones</a>, <a href="https://publications.waset.org/abstracts/search?q=biochemical%20evolution" title=" biochemical evolution"> biochemical evolution</a>, <a href="https://publications.waset.org/abstracts/search?q=biosynthesis" title=" biosynthesis"> biosynthesis</a>, <a href="https://publications.waset.org/abstracts/search?q=metabolism" title=" metabolism"> metabolism</a> </p> <a href="https://publications.waset.org/abstracts/11435/biosynthesis-and-metabolism-of-anthraquinone-derivatives" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/11435.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">337</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">562</span> Antibacterial and Cytotoxicity Activity of Cinchona Alkaloids</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Alma%20Rami%C4%87">Alma Ramić</a>, <a href="https://publications.waset.org/abstracts/search?q=Mirjana%20Sko%C4%8Dibu%C5%A1i%C4%87"> Mirjana Skočibušić</a>, <a href="https://publications.waset.org/abstracts/search?q=Renata%20Od%C5%BEak"> Renata Odžak</a>, <a href="https://publications.waset.org/abstracts/search?q=Tomica%20Hrenar"> Tomica Hrenar</a>, <a href="https://publications.waset.org/abstracts/search?q=Ines%20Primo%C5%BEi%C4%8D"> Ines Primožič</a> </p> <p class="card-text"><strong>Abstract:</strong></p> In an attempt to identify a new class of antimicrobial agents, the antimicrobial potential of Cinchona alkaloid derivatives was evaluated. The bark of the Cinchona trees is the source of a variety of alkaloids, among which the best known are quinine, quinidine, cinchonine and cinchonidine. They are very useful as organocatalysts in stereoselective synthesis. On the other hand, quinine is traditionally used in the treatment of malaria. Furthermore, Cinchona alkaloids possess various analgesic, anti-inflammatory and anti–arrhythmic properties as well. In this work we present the synthesis of twenty quaternary derivatives of pseudo−enantiomeric Cinchona alkaloid derivatives to evaluate their antibacterial activity. Quaternization of quinuclidine moiety was carried out with groups diverse in their size. The structures of compounds were systematically modified to obtain drug-like properties with proper physical and chemical properties and avoiding toxophore. All compounds were prepared in good yields and were characterized by standard analytical spectroscopy methods (1D and 2D NMR, IR, MS). The antibacterial activities of all compounds were evaluated against series of recent clinical isolates of antibiotic susceptible Gram-positive and resistant Gram-negative pathogens by determining their zone of inhibition and minimum inhibitory concentrations. All compounds showed good to strong broad-spectrum activity, equivalent or better in comparison with standard antibiotics used. Furthermore, seven compounds exhibited significant antibacterial efficiency against Gram-negative isolates. To visualize the results, principal component analysis was used as an additional classification tool. Cytotoxicity of compounds with different cell lines in human cell culture was determined. Based on these results, substituted quaternary Cinchona scaffold can be considered as promising new class of antimicrobials and further investigations should be performed. Supported by Croatian Science Foundation, Project No 3775 ADESIRE. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=antibacterial%20efficiency" title="antibacterial efficiency">antibacterial efficiency</a>, <a href="https://publications.waset.org/abstracts/search?q=cinchona%20alkaloids" title=" cinchona alkaloids"> cinchona alkaloids</a>, <a href="https://publications.waset.org/abstracts/search?q=cytotoxicity" title=" cytotoxicity"> cytotoxicity</a>, <a href="https://publications.waset.org/abstracts/search?q=pseudo%E2%80%90enantiomers" title=" pseudo‐enantiomers"> pseudo‐enantiomers</a> </p> <a href="https://publications.waset.org/abstracts/103590/antibacterial-and-cytotoxicity-activity-of-cinchona-alkaloids" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/103590.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">153</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">561</span> Rapid Formation of Ortho-Boronoimines and Derivatives for Reversible and Dynamic Bioconjugation Under Physiological Conditions</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Nicholas%20C.%20Rose">Nicholas C. Rose</a>, <a href="https://publications.waset.org/abstracts/search?q=Christopher%20D.%20%20Spicer"> Christopher D. Spicer</a> </p> <p class="card-text"><strong>Abstract:</strong></p> The regeneration of damaged or diseased tissues would provide an invaluable therapeutic tool in biological research and medicine. Cells must be provided with a number of different biochemical signals in order to form mature tissue through complex signaling networks that are difficult to recreate in synthetic materials. The ability to attach and detach bioactive proteins from material in an iterative and dynamic manner would therefore present a powerful way to mimic natural biochemical signaling cascades for tissue growth. We propose to reversibly attach these bioactive proteins using ortho-boronoimine (oBI) linkages and related derivatives formed by the reaction of an ortho-boronobenzaldehyde with a nucleophilic amine derivative. To enable the use of oBIs for biomaterial modification, we have studied binding and cleavage processes with precise detail in the context of small molecule models. A panel of oBI complexes has been synthesized and screened using a novel Förster resonance energy transfer (FRET) assay, using a cyanine dye FRET pair (Cy3 and Cy5), to identify the most reactive boron-aldehyde/amine nucleophile pairs. Upon conjugation of the dyes, FRET occurs under Cy3 excitation and the resultant ratio of Cy3:Cy5 emission directly correlates to conversion. Reaction kinetics and equilibria can be accurately quantified for reactive pairs, with dissociation constants of oBI derivatives in water (KD) found to span 9-orders of magnitude (10⁻²-10⁻¹¹ M). These studies have provided us with a better understanding of oBI linkages that we hope to exploit to reversibly attach bioconjugates to materials. The long-term aim of the project is to develop a modular biomaterial platform that can be used to help combat chronic diseases such as osteoarthritis, heart disease, and chronic wounds by providing cells with potent biological stimuli for tissue engineering. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=dynamic" title="dynamic">dynamic</a>, <a href="https://publications.waset.org/abstracts/search?q=bioconjugation" title=" bioconjugation"> bioconjugation</a>, <a href="https://publications.waset.org/abstracts/search?q=bornoimine" title=" bornoimine"> bornoimine</a>, <a href="https://publications.waset.org/abstracts/search?q=rapid" title=" rapid"> rapid</a>, <a href="https://publications.waset.org/abstracts/search?q=physiological" title=" physiological"> physiological</a> </p> <a href="https://publications.waset.org/abstracts/150939/rapid-formation-of-ortho-boronoimines-and-derivatives-for-reversible-and-dynamic-bioconjugation-under-physiological-conditions" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/150939.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">96</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">560</span> Experimental and Theoretical Characterization of Supramolecular Complexes between 7-(Diethylamino)Quinoline-2(1H)-One and Cucurbit[7] Uril</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Kevin%20A.%20Droguett">Kevin A. Droguett</a>, <a href="https://publications.waset.org/abstracts/search?q=Edwin%20G.%20P%C3%A9rez"> Edwin G. Pérez</a>, <a href="https://publications.waset.org/abstracts/search?q=Denis%20Fuentealba"> Denis Fuentealba</a>, <a href="https://publications.waset.org/abstracts/search?q=Margarita%20E.%20Aliaga"> Margarita E. Aliaga</a>, <a href="https://publications.waset.org/abstracts/search?q=Ang%C3%A9lica%20M.%20Fierro"> Angélica M. Fierro</a> </p> <p class="card-text"><strong>Abstract:</strong></p> Supramolecular chemistry is a field of growing interest. Moreover, studying the formation of host-guest complexes between macrocycles and dyes is highly attractive due to their potential applications. Examples of the above are drug delivery, catalytic process, and sensing, among others. There are different dyes of interest in the literature; one example is the quinolinone derivatives. Those molecules have good optical properties and chemical and thermal stability, making them suitable for developing fluorescent probes. Secondly, several macrocycles can be seen in the literature. One example is the cucurbiturils. This water-soluble macromolecule family has a hydrophobic cavity and two identical carbonyl portals. Additionally, the thermodynamic analysis of those supramolecular systems could help understand the affinity between the host and guest, their interaction, and the main stabilization energy of the complex. In this work, two 7-(diethylamino) quinoline-2 (1H)-one derivative (QD1-2) and their interaction with cucurbit[7]uril (CB[7]) were studied from an experimental and in-silico point of view. For the experimental section, the complexes showed a 1:1 stoichiometry by HRMS-ESI and isothermal titration calorimetry (ITC). The inclusion of the derivatives on the macrocycle lends to an upward shift in the fluorescence intensity, and the pKa value of QD1-2 exhibits almost no variation after the formation of the complex. The thermodynamics of the inclusion complexes was investigated using ITC; the results demonstrate a non-classical hydrophobic effect with a minimum contribution from the entropy term and a constant binding on the order of 106 for both ligands. Additionally, dynamic molecular studies were carried out during 300 ns in an explicit solvent at NTP conditions. Our finding shows that the complex remains stable during the simulation (RMSD ~1 Å), and hydrogen bonds contribute to the stabilization of the systems. Finally, thermodynamic parameters from MMPBSA calculations were obtained to generate new computational insights to compare with experimental results. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=host-guest%20complexes" title="host-guest complexes">host-guest complexes</a>, <a href="https://publications.waset.org/abstracts/search?q=molecular%20dynamics" title=" molecular dynamics"> molecular dynamics</a>, <a href="https://publications.waset.org/abstracts/search?q=quinolin-2%281H%29-one%20derivatives%20dyes" title=" quinolin-2(1H)-one derivatives dyes"> quinolin-2(1H)-one derivatives dyes</a>, <a href="https://publications.waset.org/abstracts/search?q=thermodynamics" title=" thermodynamics"> thermodynamics</a> </p> <a href="https://publications.waset.org/abstracts/161151/experimental-and-theoretical-characterization-of-supramolecular-complexes-between-7-diethylaminoquinoline-21h-one-and-cucurbit7-uril" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/161151.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">92</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">559</span> Synthesis, Electrochemical and Fluorimetric Analysis of Caffeic Cinnamic and Acid-Conjugated Hemorphine Derivatives Designed as Potential Anticonvulsant Agents</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Jana%20Tchekalarova">Jana Tchekalarova</a>, <a href="https://publications.waset.org/abstracts/search?q=Stela%20Georgieva"> Stela Georgieva</a>, <a href="https://publications.waset.org/abstracts/search?q=Petia%20Peneva"> Petia Peneva</a>, <a href="https://publications.waset.org/abstracts/search?q=Petar%20Todorov"> Petar Todorov</a> </p> <p class="card-text"><strong>Abstract:</strong></p> In the present study, a series of bioconjugates of N-modified hemorphine analogs containing second pharmacophore cinnamic acids (CA) or caffeic acid (KA) were synthesized by a traditional solid-phase Fmoc chemistry method for peptide synthesis. Electrochemical and fluorometric analysis and in vivo anticonvulsant activity in mice were conducted on the compounds. The three CA (H4-CA, H5-CA, and H7-CA) and three KA (H4-KA, H5-KA, and H7-KA)-conjugated hemorphine derivatives showed dose-dependent anticonvulsant activity in the maximal electroshock test (MES) in mice. The KA-conjugated H5-KA derivate was the only compound that suppressed clonic seizures at the lowest dose of 0.5 µg/mouse in the scPTZ test. The activity against the psychomotor seizures in the 6-Hz test was detected only for the H4-CA (0.5 µg) and H4-KA (0.5 µg and 1 µg), respectively. The peptide derivates did not exhibit neurotoxicity in the rotarod test. Our findings suggest that conjugated CA and KA hemorphine peptides can be used as a background for developing hemorphin-related analogs with anticonvulsant activity. Acknowledgments: This study is funded by the European Union-NextGenerationEU, through the National Recovery and Resilience Plan of the Republic of Bulgaria, project № BG-RRP-2.004-0002, "BiOrgaMCT". <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=hemorphins" title="hemorphins">hemorphins</a>, <a href="https://publications.waset.org/abstracts/search?q=SPSS" title=" SPSS"> SPSS</a>, <a href="https://publications.waset.org/abstracts/search?q=caffeic%2Fcinnamic%20acid" title=" caffeic/cinnamic acid"> caffeic/cinnamic acid</a>, <a href="https://publications.waset.org/abstracts/search?q=anticonvulsant%20activity" title=" anticonvulsant activity"> anticonvulsant activity</a>, <a href="https://publications.waset.org/abstracts/search?q=electrochemistry" title=" electrochemistry"> electrochemistry</a>, <a href="https://publications.waset.org/abstracts/search?q=fluorimetry" title=" fluorimetry"> fluorimetry</a> </p> <a href="https://publications.waset.org/abstracts/119706/synthesis-electrochemical-and-fluorimetric-analysis-of-caffeic-cinnamic-and-acid-conjugated-hemorphine-derivatives-designed-as-potential-anticonvulsant-agents" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/119706.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">152</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">558</span> The Use of Actoprotectors by Professional Athletes</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Kalin%20Ivanov">Kalin Ivanov</a>, <a href="https://publications.waset.org/abstracts/search?q=Stanislava%20Ivanova"> Stanislava Ivanova</a> </p> <p class="card-text"><strong>Abstract:</strong></p> Actoprotectors are substances with hight performance enchasing potential and hight antioxidant activity. Most of these drugs have been developed in USSR for military medicine purposes. Based on their chemical composition actoprotectors could be classified into three categories: benzimidazole derivatives (ethomersol, bemitil); adamantane derivatives (bromantane), other chemical classes. First data for intake of actoprotectors from professional athletes is from 1980. The daily intake of actoprotectors demonstrate many benefits for athletes like: positive effect on the efficiency of physical work, antihypoxic effects, antioxidant effects, nootropic effects, rapid recovery. Since 1997, bromantane is considered as doping. This is a result of Summer Olympic Games in Athlanta (1996) when several Russian athletes tested positive for bramantane. Even the drug is safe for athletes health its use is considered as violation of anti- doping rules. More than 37 years bemetil has been used by professional athletes with no risk but currently it is included in WADA monitoring programme for 2018. Current perspectives are that most used actoprotectors would be considered as doping. Many clinical studies have confirmed that intake of bemitil and bromantan demonstrate positive influence on the physical work capacity but data for other actoprotectors like chlodantane, ademol, ethomersol is limited. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=actoprotector" title="actoprotector">actoprotector</a>, <a href="https://publications.waset.org/abstracts/search?q=sport" title=" sport"> sport</a>, <a href="https://publications.waset.org/abstracts/search?q=doping" title=" doping"> doping</a>, <a href="https://publications.waset.org/abstracts/search?q=bemitil" title=" bemitil"> bemitil</a> </p> <a href="https://publications.waset.org/abstracts/85179/the-use-of-actoprotectors-by-professional-athletes" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/85179.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">322</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">557</span> New Hardy Type Inequalities of Two-Dimensional on Time Scales via Steklov Operator</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Wedad%20Albalawi">Wedad Albalawi</a> </p> <p class="card-text"><strong>Abstract:</strong></p> The mathematical inequalities have been the core of mathematical study and used in almost all branches of mathematics as well in various areas of science and engineering. The inequalities by Hardy, Littlewood and Polya were the first significant composition of several science. This work presents fundamental ideas, results and techniques, and it has had much influence on research in various branches of analysis. Since 1934, various inequalities have been produced and studied in the literature. Furthermore, some inequalities have been formulated by some operators; in 1989, weighted Hardy inequalities have been obtained for integration operators. Then, they obtained weighted estimates for Steklov operators that were used in the solution of the Cauchy problem for the wave equation. They were improved upon in 2011 to include the boundedness of integral operators from the weighted Sobolev space to the weighted Lebesgue space. Some inequalities have been demonstrated and improved using the Hardy–Steklov operator. Recently, a lot of integral inequalities have been improved by differential operators. Hardy inequality has been one of the tools that is used to consider integrity solutions of differential equations. Then, dynamic inequalities of Hardy and Coposon have been extended and improved by various integral operators. These inequalities would be interesting to apply in different fields of mathematics (functional spaces, partial differential equations, mathematical modeling). Some inequalities have been appeared involving Copson and Hardy inequalities on time scales to obtain new special version of them. A time scale is an arbitrary nonempty closed subset of the real numbers. Then, the dynamic inequalities on time scales have received a lot of attention in the literature and has become a major field in pure and applied mathematics. There are many applications of dynamic equations on time scales to quantum mechanics, electrical engineering, neural networks, heat transfer, combinatorics, and population dynamics. This study focuses on Hardy and Coposon inequalities, using Steklov operator on time scale in double integrals to obtain special cases of time-scale inequalities of Hardy and Copson on high dimensions. The advantage of this study is that it uses the one-dimensional classical Hardy inequality to obtain higher dimensional on time scale versions that will be applied in the solution of the Cauchy problem for the wave equation. In addition, the obtained inequalities have various applications involving discontinuous domains such as bug populations, phytoremediation of metals, wound healing, maximization problems. The proof can be done by introducing restriction on the operator in several cases. The concepts in time scale version such as time scales calculus will be used that allows to unify and extend many problems from the theories of differential and of difference equations. In addition, using chain rule, and some properties of multiple integrals on time scales, some theorems of Fubini and the inequality of H¨older. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=time%20scales" title="time scales">time scales</a>, <a href="https://publications.waset.org/abstracts/search?q=inequality%20of%20hardy" title=" inequality of hardy"> inequality of hardy</a>, <a href="https://publications.waset.org/abstracts/search?q=inequality%20of%20coposon" title=" inequality of coposon"> inequality of coposon</a>, <a href="https://publications.waset.org/abstracts/search?q=steklov%20operator" title=" steklov operator"> steklov operator</a> </p> <a href="https://publications.waset.org/abstracts/173399/new-hardy-type-inequalities-of-two-dimensional-on-time-scales-via-steklov-operator" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/173399.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">95</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">556</span> Synthesis, Electrochemical and Fluorimetric Analysis of Caffeic Cinnamic and Acid-Conjugated Hemorphin Derivatives Designed as Potential Anticonvulsant Agents</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Jana%20Tchekalarova">Jana Tchekalarova</a>, <a href="https://publications.waset.org/abstracts/search?q=Stela%20Georgieva"> Stela Georgieva</a>, <a href="https://publications.waset.org/abstracts/search?q=Petia%20Peneva"> Petia Peneva</a>, <a href="https://publications.waset.org/abstracts/search?q=Petar%20Todorov"> Petar Todorov</a> </p> <p class="card-text"><strong>Abstract:</strong></p> In the present study, a series of bioconjugates of N-modified hemorphine analogs containing second pharmacophore cinnamic acids (CA) or caffeic (KA) were synthesized by a traditional solid-phase Fmoc chemistry method for peptide synthesis. Electrochemical and fluorimetrical analysis and in vivo anticonvulsant activity in mice were conducted on the compounds. The three CA acids (H4-CA, H5-CA, and H7-CA) and three KA acids (H4-KA, H5-KA, and H7-KA)-conjugated hemorphine derivatives showed dose-dependent anticonvulsant activity in the maximal electroshock test (MES) in mice. The KA-conjugated H5-KA derivate was the only compound that suppressed clonic seizures at the lowest dose of 0.5 µg/mouse in the scPTZ test. The activity against the psychomotor seizures in the 6-Hz test was detected only for the H4-CA (0.5 µg) and H4-KA (0.5 µg and 1 µg), respectively. The peptide derivates did not exhibit neurotoxicity in the rotarod test. Our findings suggest that conjugated CA and KA hemorphine peptides can be used as a background for developing hemorphin-related analogs with anticonvulsant activity. Acknowledgements: This study is funded by the European Union-NextGenerationEU, through the National Recovery and Resilience Plan of the Republic of Bulgaria, project № BG-RRP-2.004-0002, "BiOrgaMCT". <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=hemorphins" title="hemorphins">hemorphins</a>, <a href="https://publications.waset.org/abstracts/search?q=caffeic%2Fcinnamic%20acid" title=" caffeic/cinnamic acid"> caffeic/cinnamic acid</a>, <a href="https://publications.waset.org/abstracts/search?q=anticonvulsant%20activity" title=" anticonvulsant activity"> anticonvulsant activity</a>, <a href="https://publications.waset.org/abstracts/search?q=electrochemistry" title=" electrochemistry"> electrochemistry</a>, <a href="https://publications.waset.org/abstracts/search?q=fluorimetry" title=" fluorimetry"> fluorimetry</a> </p> <a href="https://publications.waset.org/abstracts/164003/synthesis-electrochemical-and-fluorimetric-analysis-of-caffeic-cinnamic-and-acid-conjugated-hemorphin-derivatives-designed-as-potential-anticonvulsant-agents" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/164003.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">106</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">555</span> The Impact of Initiators on Fast Drying Traffic Marking Paint</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Maryam%20Taheri">Maryam Taheri</a>, <a href="https://publications.waset.org/abstracts/search?q=Mehdi%20Jahanfar"> Mehdi Jahanfar</a>, <a href="https://publications.waset.org/abstracts/search?q=Kenji%20Ogino"> Kenji Ogino</a> </p> <p class="card-text"><strong>Abstract:</strong></p> Fast drying traffic marking paint comprising a solvent-borne resin, a filler, a pigment and a solvent that is especially suitable for colder ambient (temperatures near freezing) applications, where waterborne traffic paint cannot be used. Acrylic resins based on methyl methacrylate, butyl acrylate, acrylic acid, and styrene were synthesized in different solvents using organic peroxide initiators such as peroxyester, peroxyketal, dialkylperoxide and azo. After polymerization, the molecular weight (Mw), polydispersity index= PDI (Mw/Mn), viscosity, total residual monomer and APHA color were evaluated and results of organic peroxide initiators (t- butyl and t-amyl derivatives) were also compared with the azo initiator. The Mw, PDI, viscosity, mass conversation and APHA color of resins with t-amyl derivatives of organic peroxide initiators are very proper. The results of the traffic marking paints test such as non-volatile matter, no- pick- up time, hiding power, resistance to wear and water resistance study that produced with these resins also confirm this. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=fast%20drying%20traffic%20marking%20paint" title="fast drying traffic marking paint">fast drying traffic marking paint</a>, <a href="https://publications.waset.org/abstracts/search?q=acrylic%20resin" title=" acrylic resin"> acrylic resin</a>, <a href="https://publications.waset.org/abstracts/search?q=organic%20peroxide%20initiator" title=" organic peroxide initiator"> organic peroxide initiator</a>, <a href="https://publications.waset.org/abstracts/search?q=peroxyester" title=" peroxyester"> peroxyester</a>, <a href="https://publications.waset.org/abstracts/search?q=peroxyketal" title=" peroxyketal"> peroxyketal</a>, <a href="https://publications.waset.org/abstracts/search?q=dialkylperoxide%20and%20azo%20initiator" title=" dialkylperoxide and azo initiator"> dialkylperoxide and azo initiator</a> </p> <a href="https://publications.waset.org/abstracts/82325/the-impact-of-initiators-on-fast-drying-traffic-marking-paint" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/82325.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">208</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">554</span> Construction of QSAR Models to Predict Potency on a Series of substituted Imidazole Derivatives as Anti-fungal Agents</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Sara%20El%20Mansouria%20Beghdadi">Sara El Mansouria Beghdadi</a> </p> <p class="card-text"><strong>Abstract:</strong></p> Quantitative structure–activity relationship (QSAR) modelling is one of the main computer tools used in medicinal chemistry. Over the past two decades, the incidence of fungal infections has increased due to the development of resistance. In this study, the QSAR was performed on a series of esters of 2-carboxamido-3-(1H-imidazole-1-yl) propanoic acid derivatives. These compounds have showed moderate and very good antifungal activity. The multiple linear regression (MLR) was used to generate the linear 2d-QSAR models. The dataset consists of 115 compounds with their antifungal activity (log MIC) against «Candida albicans» (ATCC SC5314). Descriptors were calculated, and different models were generated using Chemoffice, Avogadro, GaussView software. The selected model was validated. The study suggests that the increase in lipophilicity and the reduction in the electronic character of the substituent in R1, as well as the reduction in the steric hindrance of the substituent in R2 and its aromatic character, supporting the potentiation of the antifungal effect. The results of QSAR could help scientists to propose new compounds with higher antifungal activities intended for immunocompromised patients susceptible to multi-resistant nosocomial infections. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=quantitative%20structure%E2%80%93activity%20relationship" title="quantitative structure–activity relationship">quantitative structure–activity relationship</a>, <a href="https://publications.waset.org/abstracts/search?q=imidazole" title=" imidazole"> imidazole</a>, <a href="https://publications.waset.org/abstracts/search?q=antifungal" title=" antifungal"> antifungal</a>, <a href="https://publications.waset.org/abstracts/search?q=candida%20albicans%20%28ATCC%20SC5314%29" title=" candida albicans (ATCC SC5314)"> candida albicans (ATCC SC5314)</a> </p> <a 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