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inhibitors</title> <meta name="description" content="Search results for: NS5 protein inhibitors"> <meta name="keywords" content="NS5 protein inhibitors"> <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 Excellence" /> </a> <button class="d-block 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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="NS5 protein inhibitors"> <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> 2679</div> </div> </div> </div> <h1 class="mt-3 mb-3 text-center" style="font-size:1.6rem;">Search results for: NS5 protein inhibitors</h1> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">2649</span> Electrochemical Studies of Some Schiff Bases on the Corrosion of Steel in H2SO4 Solution</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Ahmed%20A.%20Farag">Ahmed A. Farag</a>, <a href="https://publications.waset.org/abstracts/search?q=M.%20A.%20Hgazy"> M. A. Hgazy</a> </p> <p class="card-text"><strong>Abstract:</strong></p> The influence of three Schiff bases (SB-I, SB-II, and SB-III) on the corrosion of carbon steel in 0.5 M H2SO4 solution was studied by potentiodynamic polarization and electrochemical impedance spectroscopy (EIS) techniques. The inhibition efficiency increases with the concentration of the Schiff bases and follow the trend: SB-III > SB-II > SB-I. Tafel polarization measurements revealed that the three tested inhibitors function as anodic inhibitors. The thermodynamic parameters Kads and ΔGºads are calculated and discussed. The Langmuir isotherm equation was found to provide an accurate description of the adsorption behaviour of the investigated Schiff bases. Depending on the results, the inhibitive mechanism was proposed. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=Schiff%20bases" title="Schiff bases">Schiff bases</a>, <a href="https://publications.waset.org/abstracts/search?q=corrosion%20inhibitors" title=" corrosion inhibitors"> corrosion inhibitors</a>, <a href="https://publications.waset.org/abstracts/search?q=EIS" title=" EIS"> EIS</a>, <a href="https://publications.waset.org/abstracts/search?q=adsorption" title=" adsorption"> adsorption</a> </p> <a href="https://publications.waset.org/abstracts/2135/electrochemical-studies-of-some-schiff-bases-on-the-corrosion-of-steel-in-h2so4-solution" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/2135.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">542</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">2648</span> Liquid Chromatographic Determination of Alprazolam with ACE Inhibitors in Bulk, Respective Pharmaceutical Products and Human Serum</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Saeeda%20Nadir%20Ali">Saeeda Nadir Ali</a>, <a href="https://publications.waset.org/abstracts/search?q=Najma%20Sultana"> Najma Sultana</a>, <a href="https://publications.waset.org/abstracts/search?q=Muhammad%20Saeed%20Arayne"> Muhammad Saeed Arayne</a>, <a href="https://publications.waset.org/abstracts/search?q=Amtul%20Qayoom"> Amtul Qayoom</a> </p> <p class="card-text"><strong>Abstract:</strong></p> Present study describes a simple and a fast liquid chromatographic method using ultraviolet detector for simultaneous determination of anxiety relief medicine alprazolam with ACE inhibitors i.e; lisinopril, captopril and enalapril employing purospher star C18 (25 cm, 0.46 cm, 5 µm). Separation was achieved within 5 min at ambient temperature via methanol: water (8:2 v/v) with pH adjusted to 2.9, monitoring the detector response at 220 nm. Optimum parameters were set up as per ICH (2006) guidelines. Calibration range was found out to be 0.312-10 µg mL-1 for alprazolam and 0.625-20 µg mL-1 for all the ACE inhibitors with correlation coefficients > 0.998 and detection limits 85, 37, 68 and 32 ng mL-1 for lisinopril, captopril, enalapril and alprazolam respectively. Intra-day, inter-day precision and accuracy of the assay were in acceptable range of 0.05-1.62% RSD and 98.85-100.76% recovery. Method was determined to be robust and effectively useful for the estimation of studied drugs in dosage formulations and human serum without obstruction of excipients or serum components. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=alprazolam" title="alprazolam">alprazolam</a>, <a href="https://publications.waset.org/abstracts/search?q=ACE%20inhibitors" title=" ACE inhibitors"> ACE inhibitors</a>, <a href="https://publications.waset.org/abstracts/search?q=RP%20HPLC" title=" RP HPLC"> RP HPLC</a>, <a href="https://publications.waset.org/abstracts/search?q=serum" title=" serum"> serum</a> </p> <a href="https://publications.waset.org/abstracts/34837/liquid-chromatographic-determination-of-alprazolam-with-ace-inhibitors-in-bulk-respective-pharmaceutical-products-and-human-serum" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/34837.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">515</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">2647</span> A Comparative Performance of Polyaspartic Acid and Sodium Polyacrylate on Silicate Scale Inhibition </h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Ismail%20Bin%20Mohd%20Saaid">Ismail Bin Mohd Saaid</a>, <a href="https://publications.waset.org/abstracts/search?q=Abubakar%20Abubakar%20Umar"> Abubakar Abubakar Umar</a> </p> <p class="card-text"><strong>Abstract:</strong></p> Despite the successes recorded by Alkaline/Surfactant/Polymer (ASP) flooding as an effective chemical EOR technique, the combination CEOR is not unassociated with stern glitches, one of which is the scaling of downhole equipment. One of the major issues inside the oil industry is how to control scale formation, regardless of whether it is in the wellhead equipment, down-hole pipelines or even the actual field formation. The best approach to handle the challenge associated with oilfield scale formation is the application of scale inhibitors to avert the scale formation. Chemical inhibitors have been employed in doing such. But due to environmental regulations, the industry have focused on using green scale inhibitors to mitigate the formation of scales. This paper compares the scale inhibition performance of Polyaspartic acid and sodium polyacrylic acid, both commercial green scale inhibitors, in mitigating silicate scales formed during Alkaline/Surfactant/polymer flooding under static conditions. Both PASP and TH5000 are non-threshold inhibitors, therefore their efficiency was only seeing in delaying the deposition of the silicate scales. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=alkaline%2Fsurfactant%2Fpolymer%20flooding%20%28ASP%29" title="alkaline/surfactant/polymer flooding (ASP)">alkaline/surfactant/polymer flooding (ASP)</a>, <a href="https://publications.waset.org/abstracts/search?q=polyaspartic%20acid%20%28PASP%29" title=" polyaspartic acid (PASP)"> polyaspartic acid (PASP)</a>, <a href="https://publications.waset.org/abstracts/search?q=sodium%20polyacrylate%20%28SPA%29" title=" sodium polyacrylate (SPA)"> sodium polyacrylate (SPA)</a> </p> <a href="https://publications.waset.org/abstracts/29025/a-comparative-performance-of-polyaspartic-acid-and-sodium-polyacrylate-on-silicate-scale-inhibition" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/29025.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">351</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">2646</span> Docking, Pharmacophore Modeling and 3d QSAR Studies on Some Novel HDAC Inhibitors with Heterocyclic Linker</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Harish%20Rajak">Harish Rajak</a>, <a href="https://publications.waset.org/abstracts/search?q=Preeti%20Patel"> Preeti Patel</a> </p> <p class="card-text"><strong>Abstract:</strong></p> The application of histone deacetylase inhibitors is a well-known strategy in prevention of cancer which shows acceptable preclinical antitumor activity due to its ability of growth inhibition and apoptosis induction of cancer cell. Molecular docking were performed using Histone Deacetylase protein (PDB ID:1t69) and prepared series of hydroxamic acid based HDACIs. On the basis of docking study, it was predicted that compound 1 has significant binding interaction with HDAC protein and three hydrogen bond interactions takes place, which are essential for antitumor activity. On docking, most of the compounds exhibited better glide score values between -8 to -10 which is close to the glide score value of suberoylanilide hydroxamic acid. The pharmacophore hypotheses were developed using e-pharmacophore script and phase module. The 3D-QSAR models provided a good correlation between predicted and actual anticancer activity. Best QSAR model showed Q2 (0.7974), R2 (0.9200) and standard deviation (0.2308). QSAR visualization maps suggest that hydrogen bond acceptor groups at carbonyl group of cap region and hydrophobic groups at ortho, meta, para position of R9 were favorable for HDAC inhibitory activity. We established structure activity correlation using docking, pharmacophore modeling and atom based 3D QSAR model for hydroxamic acid based HDACIs. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=HDACIs" title="HDACIs">HDACIs</a>, <a href="https://publications.waset.org/abstracts/search?q=QSAR" title=" QSAR"> QSAR</a>, <a href="https://publications.waset.org/abstracts/search?q=e-pharmacophore" title=" e-pharmacophore"> e-pharmacophore</a>, <a href="https://publications.waset.org/abstracts/search?q=docking" title=" docking"> docking</a>, <a href="https://publications.waset.org/abstracts/search?q=suberoylanilide%20hydroxamic%20acid" title=" suberoylanilide hydroxamic acid"> suberoylanilide hydroxamic acid</a> </p> <a href="https://publications.waset.org/abstracts/40757/docking-pharmacophore-modeling-and-3d-qsar-studies-on-some-novel-hdac-inhibitors-with-heterocyclic-linker" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/40757.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">302</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">2645</span> QSAR, Docking and E-pharmacophore Approach on Novel Series of HDAC Inhibitors with Thiophene Linker as Anticancer Agents</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Harish%20Rajak">Harish Rajak</a>, <a href="https://publications.waset.org/abstracts/search?q=Preeti%20Patel"> Preeti Patel</a> </p> <p class="card-text"><strong>Abstract:</strong></p> HDAC inhibitors can reactivate gene expression and inhibit the growth and survival of cancer cells. The 3D-QSAR and Pharmacophore modeling studies were performed to identify important pharmacophoric features and correlate 3D-chemical structure with biological activity. The pharmacophore hypotheses were developed using e-pharmacophore script and phase module. Pharmacophore hypothesis represents the 3D arrangement of molecular features necessary for activity. A series of 55 compounds with well-assigned HDAC inhibitory activity was used for 3D-QSAR model development. Best 3D-QSAR model, which is a five PLS factor model with good statistics and predictive ability, acquired Q2 (0.7293), R2 (0.9811) and standard deviation (0.0952). Molecular docking were performed using Histone Deacetylase protein (PDB ID: 1t69) and prepared series of hydroxamic acid based HDAC inhibitors. Docking study of compound 43 show significant binding interactions Ser 276 and oxygen atom of dioxine cap region, Gly 151 and amino group and Asp 267 with carboxyl group of CONHOH, which are essential for anticancer activity. On docking, most of the compounds exhibited better glide score values between -8 to -10.5. We have established structure activity correlation using docking, energetic based pharmacophore modelling, pharmacophore and atom based 3D QSAR model. The results of these studies were further used for the design and testing of new HDAC analogs. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=Docking" title="Docking">Docking</a>, <a href="https://publications.waset.org/abstracts/search?q=e-pharmacophore" title=" e-pharmacophore"> e-pharmacophore</a>, <a href="https://publications.waset.org/abstracts/search?q=HDACIs" title=" HDACIs"> HDACIs</a>, <a href="https://publications.waset.org/abstracts/search?q=QSAR" title=" QSAR"> QSAR</a>, <a href="https://publications.waset.org/abstracts/search?q=Suberoylanilidehydroxamic%20acid." title=" Suberoylanilidehydroxamic acid."> Suberoylanilidehydroxamic acid.</a> </p> <a href="https://publications.waset.org/abstracts/40734/qsar-docking-and-e-pharmacophore-approach-on-novel-series-of-hdac-inhibitors-with-thiophene-linker-as-anticancer-agents" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/40734.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">301</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">2644</span> Virtual Screening of Potential Inhibitors against Efflux Pumps of Mycobacterium tuberculosis</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Gagan%20Dhawan">Gagan Dhawan</a> </p> <p class="card-text"><strong>Abstract:</strong></p> Mycobacterium tuberculosis was described as ‘captain of death’ with an inherent property of multiple drug resistance majorly caused by the competent mechanism of efflux pumps. In this study, various open source tools combining chemo-informatics with bioinformatics were used for efficient in-silico drug designing. The efflux pump, Rv1218c, belonging to the ABC transporter superfamily, which is predicted to be a tetronasin-transporter in M. tuberculosis was targeted. Recent studies have shown that Rv1218c forms a complex with two more efflux pumps (Rv1219c and Rv1217c) to provide multidrug resistance to the bacterium. The 3D structure of the protein was modeled (as the structure was unavailable in the previously collected databases on this gene). The TMHMM analysis of this protein in TubercuList has shown that this protein is present in the outer membrane of the bacterium. Virtual screening of compounds from various publically available chemical libraries was performed on the M. tuberculosis protein using various open source tools. These ligands were further assessed where various physicochemical properties were evaluated and analyzed. On comparison of different physicochemical properties, toxicity and docking, the ligand 2-(hydroxymethyl)-6-[4, 5, 6-trihydroxy-2-(hydroxymethyl) tetrahydropyran-3-yl] oxy-tetrahydropyran-3, 4, 5-triol was found to be best suited for further studies. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=drug%20resistance" title="drug resistance">drug resistance</a>, <a href="https://publications.waset.org/abstracts/search?q=efflux%20pump" title=" efflux pump"> efflux pump</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=virtual%20screening" title=" virtual screening"> virtual screening</a> </p> <a href="https://publications.waset.org/abstracts/44540/virtual-screening-of-potential-inhibitors-against-efflux-pumps-of-mycobacterium-tuberculosis" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/44540.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">370</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">2643</span> Very First Synthesis of Carbazole Conjugates with Efflux Pump Inhibitor as Dual Action Hybrids</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Ghazala%20Yaqub">Ghazala Yaqub</a>, <a href="https://publications.waset.org/abstracts/search?q=Zubi%20Sadiq"> Zubi Sadiq</a>, <a href="https://publications.waset.org/abstracts/search?q=Almas%20Hamid"> Almas Hamid</a>, <a href="https://publications.waset.org/abstracts/search?q=Saira%20Iqbal"> Saira Iqbal </a> </p> <p class="card-text"><strong>Abstract:</strong></p> This paper is the very first report of three dual action hybrids synthesized by covalent linkage of carbazole based novel antibacterial compounds with efflux pump inhibitors i.e., indole acetic acid/gallic acid. Novel carbazole based antibacterial compounds were prepared first and then these were covalently linked with efflux pump inhibitors which leads to the successful formation of hybrids. All prepared compounds were evaluated for their bacterial cell killing capability against Escherichia coli, Staphylococcus aureus, Pasteurella multocida and Bacillus subtilis. Compound were effective against all tested bacterial strains at different concentrations. But when these compounds were linked with efflux pump inhibitors they showed dramatic enhancement in their bacterial cell killing potential and minimum inhibitory concentration of all hybrids ranges from 7.250 µg/mL to 0.0283 µg/mL. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=antimicrobial%20assay" title="antimicrobial assay">antimicrobial assay</a>, <a href="https://publications.waset.org/abstracts/search?q=carbazole" title=" carbazole"> carbazole</a>, <a href="https://publications.waset.org/abstracts/search?q=dual%20action%20hybrids" title=" dual action hybrids"> dual action hybrids</a>, <a href="https://publications.waset.org/abstracts/search?q=efflux%20pump%20inhibitors" title=" efflux pump inhibitors"> efflux pump inhibitors</a> </p> <a href="https://publications.waset.org/abstracts/11746/very-first-synthesis-of-carbazole-conjugates-with-efflux-pump-inhibitor-as-dual-action-hybrids" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/11746.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">2104</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">2642</span> Protein Remote Homology Detection and Fold Recognition by Combining Profiles with Kernel Methods</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Bin%20Liu">Bin Liu</a> </p> <p class="card-text"><strong>Abstract:</strong></p> Protein remote homology detection and fold recognition are two most important tasks in protein sequence analysis, which is critical for protein structure and function studies. In this study, we combined the profile-based features with various string kernels, and constructed several computational predictors for protein remote homology detection and fold recognition. Experimental results on two widely used benchmark datasets showed that these methods outperformed the competing methods, indicating that these predictors are useful computational tools for protein sequence analysis. By analyzing the discriminative features of the training models, some interesting patterns were discovered, reflecting the characteristics of protein superfamilies and folds, which are important for the researchers who are interested in finding the patterns of protein folds. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=protein%20remote%20homology%20detection" title="protein remote homology detection">protein remote homology detection</a>, <a href="https://publications.waset.org/abstracts/search?q=protein%20fold%20recognition" title=" protein fold recognition"> protein fold recognition</a>, <a href="https://publications.waset.org/abstracts/search?q=profile-based%20features" title=" profile-based features"> profile-based features</a>, <a href="https://publications.waset.org/abstracts/search?q=Support%20Vector%20Machines%20%28SVMs%29" title=" Support Vector Machines (SVMs)"> Support Vector Machines (SVMs)</a> </p> <a href="https://publications.waset.org/abstracts/104054/protein-remote-homology-detection-and-fold-recognition-by-combining-profiles-with-kernel-methods" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/104054.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">161</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">2641</span> Design of Organic Inhibitors from Quantum Chemistry</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Rahma%20Tibigui">Rahma Tibigui</a>, <a href="https://publications.waset.org/abstracts/search?q=Ikram%20Hadj%20Said"> Ikram Hadj Said</a>, <a href="https://publications.waset.org/abstracts/search?q=Rachid%20Belkada"> Rachid Belkada</a>, <a href="https://publications.waset.org/abstracts/search?q=Dalila%20Hammoutene"> Dalila Hammoutene</a> </p> <p class="card-text"><strong>Abstract:</strong></p> The vulnerability of industrial facilities is highly concerned with multiple risks from corrosion. The commonly adopted solution is based on the use of organic inhibitors, which are gradually being replaced by environmentally friendly organic inhibitors. In our work, we carried out a quantum chemical study based on the Density Functional Theory (DFT) method at the B3LYP/6-311G (d,p) level of theory. The inhibitory performance of a derivative of the tetrazole molecule has been investigated and reported as a carbon steel-friendly corrosion inhibitor in hydrochloric acid (HCl) medium. The relationship is likely to exist between the molecular structure of this compound as well as its various global reactivity descriptors, and its corrosion inhibition efficiency, which was examined and then discussed. The results show low values of ΔE, which represent strong adsorption of the inhibitor on the steel surface. Moreover, the flat adsorption orientation confirmed the great ability to donate (accept) electrons to (from) steel, fabricating an anchored barrier to prevent steel from corrosion. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=eco-friendly" title="eco-friendly">eco-friendly</a>, <a href="https://publications.waset.org/abstracts/search?q=corrosion%20inhibitors" title=" corrosion inhibitors"> corrosion inhibitors</a>, <a href="https://publications.waset.org/abstracts/search?q=tetrazole" title=" tetrazole"> tetrazole</a>, <a href="https://publications.waset.org/abstracts/search?q=DFT" title=" DFT"> DFT</a> </p> <a href="https://publications.waset.org/abstracts/169362/design-of-organic-inhibitors-from-quantum-chemistry" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/169362.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">234</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">2640</span> In Silico Study of Alpha glucosidase Inhibitors by Flavonoids</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Boukli%20Hacene%20Faiza">Boukli Hacene Faiza</a>, <a href="https://publications.waset.org/abstracts/search?q=Soufi%20Wassila"> Soufi Wassila</a>, <a href="https://publications.waset.org/abstracts/search?q=Ghalem%20Said"> Ghalem Said</a> </p> <p class="card-text"><strong>Abstract:</strong></p> The oral antidiabetics drugs such as alpha glucosidase inhibitors present undesirable effects like acarbose. Flavonoids are class of molecules widely distributed in plants, for this reason we are interested in our work to study the inhibition in silico of alpha glucosidase by natural ligands ( flavonoids analogues) using molecular modeling methods using MOE (Molecular Operating Environment) software to predict their interaction with this enzyme with score energy, ADME /T tests and druglikeness properties experiments. Two flavonoids Beicalein and Apigenin have high binding affinity with alpha glucosidase with lower IC50 supposed potent inhibitors. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=alpha%20glucosidase" title="alpha glucosidase">alpha glucosidase</a>, <a href="https://publications.waset.org/abstracts/search?q=flavonoides%20analogues" title=" flavonoides analogues"> flavonoides analogues</a>, <a href="https://publications.waset.org/abstracts/search?q=drug%20research" title=" drug research"> drug research</a>, <a href="https://publications.waset.org/abstracts/search?q=molecular%20modeling" title=" molecular modeling"> molecular modeling</a> </p> <a href="https://publications.waset.org/abstracts/156715/in-silico-study-of-alpha-glucosidase-inhibitors-by-flavonoids" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/156715.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">107</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">2639</span> Re-Engineering of Traditional Indian Wadi into Ready-to-Use High Protein Quality and Fibre Rich Chunk</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Radhika%20Jain">Radhika Jain</a>, <a href="https://publications.waset.org/abstracts/search?q=Sangeeta%20Goomer"> Sangeeta Goomer</a> </p> <p class="card-text"><strong>Abstract:</strong></p> In the present study an attempt has been made to re-engineer traditional wadi into wholesome ready-to-use cereal-pulse-based chunks rich in protein quality and fibre content. Chunks were made using extrusion-dehydration combination. Two formulations i.e., whole green gram dhal with instant oats and washed green gram dhal with whole oats were formulated. These chunks are versatile in nature as they can be easily incorporated in day-to-day home-made preparations such as pulao, potato curry and kadhi. Cereal-pulse ratio was calculated using NDpCal%. Limiting amino acids such as lysine, tryptophan, methionine, cysteine and threonine were calculated for maximum amino acid profile in cereal-pulse combination. Time-temperature combination for extrusion at 130<sup>o</sup>C and dehydration at 65<sup>o</sup>C for 7 hours and 15 minutes were standardized to obtain maximum protein and fibre content. Proximate analysis such as moisture, fat and ash content were analyzed. Protein content of formulation was 62.10% and 68.50% respectively. Fibre content of formulations was 2.99% and 2.45%, respectively. Using a 5-point hedonic scale, consumer preference trials of 102 consumers were conducted and analyzed. Evaluation of chunks prepared in potato curry, kadi and pulao showed preferences for colour 82%, 87%, 86%, texture and consistency 80%, 81%, 88%, flavour and aroma 74%, 82%, 86%, after taste 70%, 75%, 86% and overall acceptability 77%, 75%, 88% respectively. High temperature inactivates antinutritional compounds such as trypsin inhibitors, lectins, saponins etc. Hence, availability of protein content was increased. Developed products were palatable and easy to prepare. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=extrusion" title="extrusion">extrusion</a>, <a href="https://publications.waset.org/abstracts/search?q=NDpCal%25" title=" NDpCal%"> NDpCal%</a>, <a href="https://publications.waset.org/abstracts/search?q=protein%20quality" title=" protein quality"> protein quality</a>, <a href="https://publications.waset.org/abstracts/search?q=wadi" title=" wadi"> wadi</a> </p> <a href="https://publications.waset.org/abstracts/61081/re-engineering-of-traditional-indian-wadi-into-ready-to-use-high-protein-quality-and-fibre-rich-chunk" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/61081.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">224</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">2638</span> Revealing Potential Drug Targets against Proto-Oncogene Wnt10B by Comparative Molecular Docking</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Shazia%20Mannan">Shazia Mannan</a>, <a href="https://publications.waset.org/abstracts/search?q=Zunera%20Khalid"> Zunera Khalid</a>, <a href="https://publications.waset.org/abstracts/search?q=Hammad-Ul-Mubeen"> Hammad-Ul-Mubeen</a> </p> <p class="card-text"><strong>Abstract:</strong></p> Wingless type Mouse mammary tumor virus (MMTV) Integration site-10B (Wnt10B) is an important member of the Wnt protein family that functions as cellular messenger in paracrine manner. Aberrant Wnt10B activity is the cause of several abnormalities including cancers of breast, cervix, liver, gastric tract, esophagus, pancreas as well as physiological problems like obesity, and osteoporosis. The objective of this study was to determine the possible inhibitors against aberrant expression of Wnt10B in order to prevent and treat the physiological disorders associated with it. Wnt10B3D structure was predicted by using comparative modeling and then analyzed by PROCHECK, Verify3D, and Errat. The model having 84.54% quality value was selected and acylated to satisfy the hydrophobic nature of Wnt10B. For search of inhibitors, virtual screening was performed on Natural Products (NP) database. The compounds were filtered and ligand-based screening was performed using the antagonist for mouse Wnt-3A. This resulted in a library of 272 unique compounds having most potent drug like activities for Wnt-4. Out of the 271 molecules analyzed three small molecules ZINC35442871, ZINC85876388, and ZINC00754234 having activity against Wnt4 abbarent expression were found common through docking experiment of Wnt10B. It is concluded that the three molecules ZINC35442871, ZINC85876388, and ZINC00754234 can be considered as lead compounds for performing further drug designing experiments against aberrant Wnt expressions. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=Wnt10B%20inhibitors" title="Wnt10B inhibitors">Wnt10B inhibitors</a>, <a href="https://publications.waset.org/abstracts/search?q=comparative%20computational%20studies" title=" comparative computational studies"> comparative computational studies</a>, <a href="https://publications.waset.org/abstracts/search?q=proto-oncogene" title=" proto-oncogene"> proto-oncogene</a>, <a href="https://publications.waset.org/abstracts/search?q=molecular%20docking" title=" molecular docking"> molecular docking</a> </p> <a href="https://publications.waset.org/abstracts/87906/revealing-potential-drug-targets-against-proto-oncogene-wnt10b-by-comparative-molecular-docking" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/87906.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">156</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">2637</span> Membrane Spanning DNA Origami Nanopores for Protein Translocation</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Genevieve%20Pugh">Genevieve Pugh</a>, <a href="https://publications.waset.org/abstracts/search?q=Johnathan%20Burns"> Johnathan Burns</a>, <a href="https://publications.waset.org/abstracts/search?q=Stefan%20Howorka"> Stefan Howorka</a> </p> <p class="card-text"><strong>Abstract:</strong></p> Single-molecule sensing via protein nanopores has achieved a step-change in portable and label-free DNA sequencing. However, protein pores of both natural or engineered origin are not able to produce the tunable diameters needed for effective protein sensing. Here, we describe a generic strategy to build synthetic DNA nanopores that are wide enough to accommodate folded protein. The pores are composed of interlinked DNA duplexes and carry lipid anchors to achieve the required membrane insertion. Our demonstrator pore has a contiguous cross-sectional channel area of 50 nm2 which is 6-times larger than the largest protein pore. Consequently, transport of folded protein across bilayers is possible. The modular design is amenable for different pore dimensions and can be adapted for protein sensing or to create molecular gates in synthetic biology. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=biosensing" title="biosensing">biosensing</a>, <a href="https://publications.waset.org/abstracts/search?q=DNA%20nanotechnology" title=" DNA nanotechnology"> DNA nanotechnology</a>, <a href="https://publications.waset.org/abstracts/search?q=DNA%20origami" title=" DNA origami"> DNA origami</a>, <a href="https://publications.waset.org/abstracts/search?q=nanopore%20sensing" title=" nanopore sensing"> nanopore sensing</a> </p> <a href="https://publications.waset.org/abstracts/78556/membrane-spanning-dna-origami-nanopores-for-protein-translocation" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/78556.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">324</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">2636</span> Computational Approach to Cyclin-Dependent Kinase 2 Inhibitors Design and Analysis: Merging Quantitative Structure-Activity Relationship, Absorption, Distribution, Metabolism, Excretion, and Toxicity, Molecular Docking, and Molecular Dynamics Simulations </h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Mohamed%20Moussaoui">Mohamed Moussaoui</a>, <a href="https://publications.waset.org/abstracts/search?q=Mouna%20Baassi"> Mouna Baassi</a>, <a href="https://publications.waset.org/abstracts/search?q=Soukayna%20Baammi"> Soukayna Baammi</a>, <a href="https://publications.waset.org/abstracts/search?q=Hatim%20Soufi"> Hatim Soufi</a>, <a href="https://publications.waset.org/abstracts/search?q=Mohammed%20Salah"> Mohammed Salah</a>, <a href="https://publications.waset.org/abstracts/search?q=Rachid%20Daoud"> Rachid Daoud</a>, <a href="https://publications.waset.org/abstracts/search?q=Achraf%20EL%20Allali"> Achraf EL Allali</a>, <a href="https://publications.waset.org/abstracts/search?q=Mohammed%20Elalaoui%20Belghiti"> Mohammed Elalaoui Belghiti</a>, <a href="https://publications.waset.org/abstracts/search?q=Said%20Belaaouad"> Said Belaaouad</a> </p> <p class="card-text"><strong>Abstract:</strong></p> The present study aims to investigate the quantitative structure-activity relationship (QSAR) of a series of Thiazole derivatives reported as anticancer agents (hepatocellular carcinoma), using principally the electronic descriptors calculated by the density functional theory (DFT) method and by applying the multiple linear regression method. The developed model showed good statistical parameters (R²= 0.725, R²ₐ𝒹ⱼ= 0.653, MSE = 0.060, R²ₜₑₛₜ= 0.827, Q²𝒸ᵥ = 0.536). The energy of the highest occupied molecular orbital (EHOMO) orbital, electronic energy (TE), shape coefficient (I), number of rotatable bonds (NROT), and index of refraction (n) were revealed to be the main descriptors influencing the anti-cancer activity. Additional Thiazole derivatives were then designed and their activities and pharmacokinetic properties were predicted using the validated QSAR model. These designed molecules underwent evaluation through molecular docking (MD) and molecular dynamic (MD) simulations, with binding affinity calculated using the MMPBSA script according to a 100 ns simulation trajectory. This process aimed to study both their affinity and stability towards Cyclin-Dependent Kinase 2 (CDK2), a target protein for cancer disease treatment. The research concluded by identifying four CDK2 inhibitors - A1, A3, A5, and A6 - displaying satisfactory pharmacokinetic properties. MDs results indicated that the designed compound A5 remained stable in the active center of the CDK2 protein, suggesting its potential as an effective inhibitor for the treatment of hepatocellular carcinoma. The findings of this study could contribute significantly to the development of effective CDK2 inhibitors. <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=ADMET" title=" ADMET"> ADMET</a>, <a href="https://publications.waset.org/abstracts/search?q=Thiazole" title=" Thiazole"> Thiazole</a>, <a href="https://publications.waset.org/abstracts/search?q=anticancer" title=" anticancer"> anticancer</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=molecular%20dynamic%20simulations" title=" molecular dynamic simulations"> molecular dynamic simulations</a>, <a href="https://publications.waset.org/abstracts/search?q=MMPBSA%20calculation" title=" MMPBSA calculation"> MMPBSA calculation</a> </p> <a href="https://publications.waset.org/abstracts/167390/computational-approach-to-cyclin-dependent-kinase-2-inhibitors-design-and-analysis-merging-quantitative-structure-activity-relationship-absorption-distribution-metabolism-excretion-and-toxicity-molecular-docking-and-molecular-dynamics-simulations" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/167390.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">107</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">2635</span> Mitigating the Aggregation of Human Islet Amyloid Polypeptide with Nanomaterials</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Ava%20Faridi">Ava Faridi</a>, <a href="https://publications.waset.org/abstracts/search?q=Pouya%20Faridi"> Pouya Faridi</a>, <a href="https://publications.waset.org/abstracts/search?q=Aleksandr%20Kakinen"> Aleksandr Kakinen</a>, <a href="https://publications.waset.org/abstracts/search?q=Ibrahim%20Javed"> Ibrahim Javed</a>, <a href="https://publications.waset.org/abstracts/search?q=Thomas%20P.%20Davis"> Thomas P. Davis</a>, <a href="https://publications.waset.org/abstracts/search?q=Pu%20Chun%20Ke"> Pu Chun Ke</a> </p> <p class="card-text"><strong>Abstract:</strong></p> Human islet amyloid polypeptide (IAPP) is a hormone associated with glycemic control and type 2 diabetes. Biophysically, the chirality of IAPP fibrils has been little explored with respect to the aggregation and toxicity of the peptide. Biochemically, it remains unclear as for how protein expression in pancreatic beta cells may be altered by cell exposure to the peptide, and how such changes may be mitigated by nanoparticle inhibitors for IAPP aggregation. In this study, we first demonstrated the elimination of the IAPP nucleation phase and shortening of its elongation phase by silica nanoribbons. This accelerated IAPP fibrillization translated to reduced toxicity, especially for the right-handed silica nanoribbons, as revealed by cell viability, helium ion microscopy, as well as zebrafish embryo survival, developmental and behavioral assays. We then examined the proteomes of βTC6 pancreatic beta cells exposed to the three main aggregation states of monomeric, oligomeric and amyloid fibrillar IAPP, and compared that with cellular protein expression modulated by graphene quantum dots (GQDs). A total of 29 proteins were significantly regulated by different forms of IAPP, and the majority of these proteins were nucleotide-binding proteins. A regulatory capacity of GQDs against aberrant protein expression was confirmed. These studies have demonstrated the great potential of employing nanomaterials targeting the mesoscopic enantioselectivity and protein expression dysregulation in pancreatic beta cells. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=graphene%20quantum%20dots" title="graphene quantum dots">graphene quantum dots</a>, <a href="https://publications.waset.org/abstracts/search?q=IAPP" title=" IAPP"> IAPP</a>, <a href="https://publications.waset.org/abstracts/search?q=silica%20nanoribbons" title=" silica nanoribbons"> silica nanoribbons</a>, <a href="https://publications.waset.org/abstracts/search?q=protein%20expression" title=" protein expression"> protein expression</a>, <a href="https://publications.waset.org/abstracts/search?q=toxicity" title=" toxicity"> toxicity</a> </p> <a href="https://publications.waset.org/abstracts/107515/mitigating-the-aggregation-of-human-islet-amyloid-polypeptide-with-nanomaterials" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/107515.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">142</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">2634</span> Structural and Binding Studies of Peptidyl-tRNA Hydrolase from Pseudomonas aeruginosa Provide a Platform for the Structure Based Inhibitor Design against Peptidyl-tRNA Hydrolase</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Sujata%20Sharma">Sujata Sharma</a>, <a href="https://publications.waset.org/abstracts/search?q=Avinash%20Singh"> Avinash Singh</a>, <a href="https://publications.waset.org/abstracts/search?q=Lovely%20Gautam"> Lovely Gautam</a>, <a href="https://publications.waset.org/abstracts/search?q=Pradeep%20Sharma"> Pradeep Sharma</a>, <a href="https://publications.waset.org/abstracts/search?q=Mau%20Sinha"> Mau Sinha</a>, <a href="https://publications.waset.org/abstracts/search?q=Asha%20Bhushan"> Asha Bhushan</a>, <a href="https://publications.waset.org/abstracts/search?q=Punit%20Kaur"> Punit Kaur</a>, <a href="https://publications.waset.org/abstracts/search?q=Tej%20P.%20Singh"> Tej P. Singh</a> </p> <p class="card-text"><strong>Abstract:</strong></p> Peptidyl-tRNA hydrolase (Pth) Pth is an essential bacterial enzyme that catalyzes the release of free tRNA and peptide moeities from peptidyl tRNAs during stalling of protein synthesis. In order to design inhibitors of Pth from Pseudomonas aeruginosa (PaPth), we have determined the structures of PaPth in its native state and in the bound states with two compounds, amino acylate-tRNA analogue (AAtA) and 5-azacytidine (AZAC). The peptidyl-tRNA hydrolase gene from Pseudomonas aeruginosa was amplified by Phusion High-Fidelity DNA Polymerase using forward and reverse primers, respectively. The E. coliBL21 (λDE3) strain was used for expression of the recombinant peptidyl-tRNA hydrolase from Pseudomonas aeruginosa. The protein was purified using a Ni-NTA superflow column. The crystallization experiments were carried out using hanging drop vapour diffusion method. The crystals diffracted to 1.50 Å resolution. The data were processed using HKL-2000. The polypeptide chain of PaPth consists of 194 amino acid residues from Met1 to Ala194. The centrally located β-structure is surrounded by α-helices from all sides except the side that has entrance to the substrate binding site. The structures of the complexes of PaPth with AAtA and AZAC showed the ligands bound to PaPth in the substrate binding cleft and interacted with protein atoms extensively. The residues that formed intermolecular hydrogen bonds with the atoms of AAtA included Asn12, His22, Asn70, Gly113, Asn116, Ser148, and Glu161 of the symmetry related molecule. The amino acids that were involved in hydrogen bonded interactions in case of AZAC included, His22, Gly113, Asn116, and Ser148. As indicated by fittings of two ligands and the number of interactions made by them with protein atoms, AAtA appears to be a more compatible with the structure of the substrate binding cleft. However, there is a further scope to achieve a better stacking than that of O-tyrosyl moiety because it is not still ideally stacked. These observations about the interactions between the protein and ligands have provided the information about the mode of binding of ligands, nature and number of interactions. This information may be useful for the design of tight inhibitors of Pth enzymes. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=peptidyl%20tRNA%20hydrolase" title="peptidyl tRNA hydrolase">peptidyl tRNA hydrolase</a>, <a href="https://publications.waset.org/abstracts/search?q=Acinetobacter%20baumannii" title=" Acinetobacter baumannii"> Acinetobacter baumannii</a>, <a href="https://publications.waset.org/abstracts/search?q=Pth%20enzymes" title="Pth enzymes">Pth enzymes</a>, <a href="https://publications.waset.org/abstracts/search?q=O-tyrosyl" title=" O-tyrosyl"> O-tyrosyl</a> </p> <a href="https://publications.waset.org/abstracts/14600/structural-and-binding-studies-of-peptidyl-trna-hydrolase-from-pseudomonas-aeruginosa-provide-a-platform-for-the-structure-based-inhibitor-design-against-peptidyl-trna-hydrolase" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/14600.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">430</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">2633</span> Role of Functional Divergence in Specific Inhibitor Design: Using γ-Glutamyltranspeptidase (GGT) as a Model Protein</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Ved%20Vrat%20Verma">Ved Vrat Verma</a>, <a href="https://publications.waset.org/abstracts/search?q=Rani%20Gupta"> Rani Gupta</a>, <a href="https://publications.waset.org/abstracts/search?q=Manisha%20Goel"> Manisha Goel</a> </p> <p class="card-text"><strong>Abstract:</strong></p> γ-glutamyltranspeptidase (GGT: EC 2.3.2.2) is an N-terminal nucleophile hydrolase conserved in all three domains of life. GGT plays a key role in glutathione metabolism where it catalyzes the breakage of the γ-glutamyl bonds and transfer of γ-glutamyl group to water (hydrolytic activity) or amino acids or short peptides (transpeptidase activity). GGTs from bacteria, archaea, and eukaryotes (human, rat and mouse) are homologous proteins sharing >50% sequence similarity and conserved four layered αββα sandwich like three dimensional structural fold. These proteins though similar in their structure to each other, are quite diverse in their enzyme activity: some GGTs are better at hydrolysis reactions but poor in transpeptidase activity, whereas many others may show opposite behaviour. GGT is known to be involved in various diseases like asthma, parkinson, arthritis, and gastric cancer. Its inhibition prior to chemotherapy treatments has been shown to sensitize tumours to the treatment. Microbial GGT is known to be a virulence factor too, important for the colonization of bacteria in host. However, all known inhibitors (mimics of its native substrate, glutamate) are highly toxic because they interfere with other enzyme pathways. However, a few successful efforts have been reported previously in designing species specific inhibitors. We aim to leverage the diversity seen in GGT family (pathogen vs. eukaryotes) for designing specific inhibitors. Thus, in the present study, we have used DIVERGE software to identify sites in GGT proteins, which are crucial for the functional and structural divergence of these proteins. Since, type II divergence sites vary in clade specific manner, so type II divergent sites were our focus of interest throughout the study. Type II divergent sites were identified for pathogen vs. eukaryotes clusters and sites were marked on clade specific representative structures HpGGT (2QM6) and HmGGT (4ZCG) of pathogen and eukaryotes clade respectively. The crucial divergent sites within 15 A radii of the binding cavity were highlighted, and in-silico mutations were performed on these sites to delineate the role of these sites on the mechanism of catalysis and protein folding. Further, the amino acid network (AAN) analysis was also performed by Cytoscape to delineate assortative mixing for cavity divergent sites which could strengthen our hypothesis. Additionally, molecular dynamics simulations were performed for wild complexes and mutant complexes close to physiological conditions (pH 7.0, 0.1 M ionic strength and 1 atm pressure) and the role of putative divergence sites and structural integrities of the homologous proteins have been analysed. The dynamics data were scrutinized in terms of RMSD, RMSF, non-native H-bonds and salt bridges. The RMSD, RMSF fluctuations of proteins complexes are compared, and the changes at protein ligand binding sites were highlighted. The outcomes of our study highlighted some crucial divergent sites which could be used for novel inhibitors designing in a species-specific manner. Since, for drug development, it is challenging to design novel drug by targeting similar protein which exists in eukaryotes, so this study could set up an initial platform to overcome this challenge and help to deduce the more effective targets for novel drug discovery. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=%CE%B3-glutamyltranspeptidase" title="γ-glutamyltranspeptidase">γ-glutamyltranspeptidase</a>, <a href="https://publications.waset.org/abstracts/search?q=divergence" title=" divergence"> divergence</a>, <a href="https://publications.waset.org/abstracts/search?q=species-specific" title=" species-specific"> species-specific</a>, <a href="https://publications.waset.org/abstracts/search?q=drug%20design" title=" drug design"> drug design</a> </p> <a href="https://publications.waset.org/abstracts/56191/role-of-functional-divergence-in-specific-inhibitor-design-using-gh-glutamyltranspeptidase-ggt-as-a-model-protein" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/56191.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">268</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">2632</span> Development of Programmed Cell Death Protein 1 Pathway-Associated Prognostic Biomarkers for Bladder Cancer Using Transcriptomic Databases</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Shu-Pin%20Huang">Shu-Pin Huang</a>, <a href="https://publications.waset.org/abstracts/search?q=Pai-Chi%20Teng"> Pai-Chi Teng</a>, <a href="https://publications.waset.org/abstracts/search?q=Hao-Han%20Chang"> Hao-Han Chang</a>, <a href="https://publications.waset.org/abstracts/search?q=Chia-Hsin%20Liu"> Chia-Hsin Liu</a>, <a href="https://publications.waset.org/abstracts/search?q=Yung-Lun%20Lin"> Yung-Lun Lin</a>, <a href="https://publications.waset.org/abstracts/search?q=Shu-Chi%20Wang"> Shu-Chi Wang</a>, <a href="https://publications.waset.org/abstracts/search?q=Hsin-Chih%20Yeh"> Hsin-Chih Yeh</a>, <a href="https://publications.waset.org/abstracts/search?q=Chih-Pin%20Chuu"> Chih-Pin Chuu</a>, <a href="https://publications.waset.org/abstracts/search?q=Jiun-Hung%20Geng"> Jiun-Hung Geng</a>, <a href="https://publications.waset.org/abstracts/search?q=Li-Hsin%20Chang"> Li-Hsin Chang</a>, <a href="https://publications.waset.org/abstracts/search?q=Wei-Chung%20Cheng"> Wei-Chung Cheng</a>, <a href="https://publications.waset.org/abstracts/search?q=Chia-Yang%20Li"> Chia-Yang Li</a> </p> <p class="card-text"><strong>Abstract:</strong></p> The emergence of immune checkpoint inhibitors (ICIs) targeting proteins like PD-1 and PD-L1 has changed the treatment paradigm of bladder cancer. However, not all patients benefit from ICIs, with some experiencing early death. There's a significant need for biomarkers associated with the PD-1 pathway in bladder cancer. Current biomarkers focus on tumor PD-L1 expression, but a more comprehensive understanding of PD-1-related biology is needed. Our study has developed a seven-gene risk score panel, employing a comprehensive bioinformatics strategy, which could serve as a potential prognostic and predictive biomarker for bladder cancer. This panel incorporates the FYN, GRAP2, TRIB3, MAP3K8, AKT3, CD274, and CD80 genes. Additionally, we examined the relationship between this panel and immune cell function, utilizing validated tools such as ESTIMATE, TIDE, and CIBERSORT. Our seven-genes panel has been found to be significantly associated with bladder cancer survival in two independent cohorts. The panel was also significantly correlated with tumor infiltration lymphocytes, immune scores, and tumor purity. These factors have been previously reported to have clinical implications on ICIs. The findings suggest the potential of a PD-1 pathway-based transcriptomic panel as a prognostic and predictive biomarker in bladder cancer, which could help optimize treatment strategies and improve patient outcomes. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=bladder%20cancer" title="bladder cancer">bladder cancer</a>, <a href="https://publications.waset.org/abstracts/search?q=programmed%20cell%20death%20protein%201" title=" programmed cell death protein 1"> programmed cell death protein 1</a>, <a href="https://publications.waset.org/abstracts/search?q=prognostic%20biomarker" title=" prognostic biomarker"> prognostic biomarker</a>, <a href="https://publications.waset.org/abstracts/search?q=immune%20checkpoint%20inhibitors" title=" immune checkpoint inhibitors"> immune checkpoint inhibitors</a>, <a href="https://publications.waset.org/abstracts/search?q=predictive%20biomarker" title=" predictive biomarker"> predictive biomarker</a> </p> <a href="https://publications.waset.org/abstracts/173666/development-of-programmed-cell-death-protein-1-pathway-associated-prognostic-biomarkers-for-bladder-cancer-using-transcriptomic-databases" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/173666.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">78</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">2631</span> Design, Molecular Modeling, Synthesize, and Biological Evaluation of Some Dual Inhibitors of Soluble Epoxide Hydrolase (sEH) and Cyclooxygenase 2 (COX-2)</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Elham%20Rezaee">Elham Rezaee</a>, <a href="https://publications.waset.org/abstracts/search?q=Sayyed%20Abbas%20Tabatabai"> Sayyed Abbas Tabatabai</a> </p> <p class="card-text"><strong>Abstract:</strong></p> Dual inhibition of COX-2 and sEH enzymes represents one of the distinct pharmaceutical approaches for the treatment of inflammation, pain, cancers, and other diseases. The discovery of these inhibitors for treatment is a great deal of attention because of some advantages such as increased efficacy, a promising safety profile, ease of formulation, and better target engagement. In this research, based on the structure-activity relationship of COX-2 and sEH inhibitors, some amide derivatives with oxadiazole and dihydropyrimidinone rings against sEH and COX-2 enzymes were developed. The designed compounds showed high affinity to the active site of both enzymes in docking studies and were synthesized in good yield and characterized by IR, Mass, 1HNMR, and 13CNMR. All of the novel compounds exhibited considerable in-vitro sEH and COX-2 inhibitory activities in comparison with 12-(3-Adamantan-1-yl-ureido)- dodecanoic acid and celecoxib (a potent urea-based sEH inhibitor and selective nonsteroidal anti-inflammatory drug, respectively). Ethyl 6-methyl-4-(4-(4-(methylsulfonyl)benzamido)phenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate was found to be the most selective COX-2 inhibitor (COX-2/COX-1 ratio: 683) with IC50 value of 2.1 nM targeting sEH enzyme. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=COX-2" title="COX-2">COX-2</a>, <a href="https://publications.waset.org/abstracts/search?q=dual%20inhibitors" title=" dual inhibitors"> dual inhibitors</a>, <a href="https://publications.waset.org/abstracts/search?q=sEH" title=" sEH"> sEH</a>, <a href="https://publications.waset.org/abstracts/search?q=synthesis" title=" synthesis"> synthesis</a> </p> <a href="https://publications.waset.org/abstracts/186048/design-molecular-modeling-synthesize-and-biological-evaluation-of-some-dual-inhibitors-of-soluble-epoxide-hydrolase-seh-and-cyclooxygenase-2-cox-2" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/186048.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">50</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">2630</span> Potential of Polyphenols from Tamarix Gallica towards Common Pathological Features of Diabetes and Alzheimer’s Diseases</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Asma%20Ben%20Hmidene">Asma Ben Hmidene</a>, <a href="https://publications.waset.org/abstracts/search?q=Mizuho%20Hanaki"> Mizuho Hanaki</a>, <a href="https://publications.waset.org/abstracts/search?q=Kazuma%20Murakami"> Kazuma Murakami</a>, <a href="https://publications.waset.org/abstracts/search?q=Kazuhiro%20Irie"> Kazuhiro Irie</a>, <a href="https://publications.waset.org/abstracts/search?q=Hiroko%20Isoda"> Hiroko Isoda</a>, <a href="https://publications.waset.org/abstracts/search?q=Hideyuki%20Shigemori"> Hideyuki Shigemori</a> </p> <p class="card-text"><strong>Abstract:</strong></p> Type 2 diabetes mellitus (T2DM) and Alzheimer’s disease (AD) are characterized as a peripheral metabolic disorder and a degenerative disease of the central nervous system, respectively. It is now widely recognized that T2DM and AD share many pathophysiological features including glucose metabolism, increased oxidative stress and amyloid aggregation. Amyloid beta (Aβ) is the components of the amyloid deposits in the AD brain and while the component of the amyloidogenic peptide deposit in the pancreatic islets of Langerhans is identified as human islet amyloid polypeptide (hIAPP). These two proteins are originated from the amyloid precursor protein and have a high sequence similarity. Although the amino acid sequences of amyloidogenic proteins are diverse, they all adopt a similar structure in aggregates called cross-beta-spine. Add at that, extensive studies in the past years have found that like Aβ1-42, IAPP forms early intermediate assemblies as spherical oligomers, implicating that these oligomers possess a common folding pattern or conformation. These similarities can be used in the search for effective pharmacotherapy for DM, since potent therapeutic agents such as antioxidants with a catechol moiety, proved to inhibit Aβ aggregation, may play a key role in the inhibit the aggregation of hIAPP treatment of patients with DM. Tamarix gallica is one of the halophyte species having a powerful antioxidant system. Although it was traditionally used for the treatment of various liver metabolic disorders, there is no report about the use of this plant for the treatment or prevention of T2DM and AD. Therefore, the aim of this work is to investigate their protective effect towards T2DM and AD by isolation and identification of α-glucosidase inhibitors, with antioxidant potential, that play an important role in the glucose metabolism in diabetic patient, as well as, the polymerization of hIAPP and Aβ aggregation inhibitors. Structure-activity relationship study was conducted for both assays. And as for α-glucosidase inhibitors, their mechanism of action and their synergistic potential when applied with a very low concentration of acarbose were also suggesting that they can be used not only as α-glucosidase inhibitors but also be combined with established α-glucosidase inhibitors to reduce their adverse effect. The antioxidant potential of the purified substances was evaluated by DPPH and SOD assays. Th-T assay using 42-mer amyloid β-protein (Aβ42) for AD and hIAPP which is a 37-residue peptide secreted by the pancreatic β –cells for T2DM and Transmission electronic microscopy (TEM) were conducted to evaluate the amyloid aggragation of the actives substances. For α-glucosidase, p-NPG and glucose oxidase assays were performed for determining the inhibition potential and structure-activity relationship study. The Enzyme kinetic protocol was used to study the mechanism of action. From this research, it was concluded that polyphenols playing a role in the glucose metabolism and oxidative stress can also inhibit the amyloid aggregation, and that substances with a catechol and glucuronide moieties inhibiting amyloid-β aggregation, might be used to inhibit the aggregation of hIAPP. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=%CE%B1-glucosidase%20inhibitors" title="α-glucosidase inhibitors">α-glucosidase inhibitors</a>, <a href="https://publications.waset.org/abstracts/search?q=amyloid%20aggregation%20inhibition" title=" amyloid aggregation inhibition"> amyloid aggregation inhibition</a>, <a href="https://publications.waset.org/abstracts/search?q=mechanism%20of%20action" title=" mechanism of action"> mechanism of action</a>, <a href="https://publications.waset.org/abstracts/search?q=polyphenols" title=" polyphenols"> polyphenols</a>, <a href="https://publications.waset.org/abstracts/search?q=structure%20activity%20relationship" title=" structure activity relationship"> structure activity relationship</a>, <a href="https://publications.waset.org/abstracts/search?q=synergistic%20potential" title=" synergistic potential"> synergistic potential</a>, <a href="https://publications.waset.org/abstracts/search?q=tamarix%20gallica" title=" tamarix gallica"> tamarix gallica</a> </p> <a href="https://publications.waset.org/abstracts/56581/potential-of-polyphenols-from-tamarix-gallica-towards-common-pathological-features-of-diabetes-and-alzheimers-diseases" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/56581.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">279</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">2629</span> High Throughput Virtual Screening against ns3 Helicase of Japanese Encephalitis Virus (JEV)</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Soma%20Banerjee">Soma Banerjee</a>, <a href="https://publications.waset.org/abstracts/search?q=Aamen%20Talukdar"> Aamen Talukdar</a>, <a href="https://publications.waset.org/abstracts/search?q=Argha%20Mandal"> Argha Mandal</a>, <a href="https://publications.waset.org/abstracts/search?q=Dipankar%20Chaudhuri"> Dipankar Chaudhuri</a> </p> <p class="card-text"><strong>Abstract:</strong></p> Japanese Encephalitis is a major infectious disease with nearly half the world’s population living in areas where it is prevalent. Currently, treatment for it involves only supportive care and symptom management through vaccination. Due to the lack of antiviral drugs against Japanese Encephalitis Virus (JEV), the quest for such agents remains a priority. For these reasons, simulation studies of drug targets against JEV are important. Towards this purpose, docking experiments of the kinase inhibitors were done against the chosen target NS3 helicase as it is a nucleoside binding protein. Previous efforts regarding computational drug design against JEV revealed some lead molecules by virtual screening using public domain software. To be more specific and accurate regarding finding leads, in this study a proprietary software Schrödinger-GLIDE has been used. Druggability of the pockets in the NS3 helicase crystal structure was first calculated by SITEMAP. Then the sites were screened according to compatibility with ATP. The site which is most compatible with ATP was selected as target. Virtual screening was performed by acquiring ligands from databases: KinaseSARfari, KinaseKnowledgebase and Published inhibitor Set using GLIDE. The 25 ligands with best docking scores from each database were re-docked in XP mode. Protein structure alignment of NS3 was performed using VAST against MMDB, and similar human proteins were docked to all the best scoring ligands. The low scoring ligands were chosen for further studies and the high scoring ligands were screened. Seventy-three ligands were listed as the best scoring ones after performing HTVS. Protein structure alignment of NS3 revealed 3 human proteins with RMSD values lesser than 2Å. Docking results with these three proteins revealed the inhibitors that can interfere and inhibit human proteins. Those inhibitors were screened. Among the ones left, those with docking scores worse than a threshold value were also removed to get the final hits. Analysis of the docked complexes through 2D interaction diagrams revealed the amino acid residues that are essential for ligand binding within the active site. Interaction analysis will help to find a strongly interacting scaffold among the hits. This experiment yielded 21 hits with the best docking scores which could be investigated further for their drug like properties. Aside from getting suitable leads, specific NS3 helicase-inhibitor interactions were identified. Selection of Target modification strategies complementing docking methodologies which can result in choosing better lead compounds are in progress. Those enhanced leads can lead to better in vitro testing. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=antivirals" title="antivirals">antivirals</a>, <a href="https://publications.waset.org/abstracts/search?q=docking" title=" docking"> docking</a>, <a href="https://publications.waset.org/abstracts/search?q=glide" title=" glide"> glide</a>, <a href="https://publications.waset.org/abstracts/search?q=high-throughput%20virtual%20screening" title=" high-throughput virtual screening"> high-throughput virtual screening</a>, <a href="https://publications.waset.org/abstracts/search?q=Japanese%20encephalitis" title=" Japanese encephalitis"> Japanese encephalitis</a>, <a href="https://publications.waset.org/abstracts/search?q=ns3%20helicase" title=" ns3 helicase"> ns3 helicase</a> </p> <a href="https://publications.waset.org/abstracts/51969/high-throughput-virtual-screening-against-ns3-helicase-of-japanese-encephalitis-virus-jev" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/51969.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">230</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">2628</span> Rationally Designed Dual PARP-HDAC Inhibitor Elicits Striking Anti-leukemic Effects</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Amandeep%20Thakur">Amandeep Thakur</a>, <a href="https://publications.waset.org/abstracts/search?q=Yi-Hsuan%20Chu"> Yi-Hsuan Chu</a>, <a href="https://publications.waset.org/abstracts/search?q=Chun-Hsu%20Pan"> Chun-Hsu Pan</a>, <a href="https://publications.waset.org/abstracts/search?q=Kunal%20Nepali"> Kunal Nepali</a> </p> <p class="card-text"><strong>Abstract:</strong></p> The transfer of ADP-ribose residues onto target substrates from nicotinamide adenine dinucleotide (NAD) (PARylation) is catalyzed by Poly (ADP-ribose) polymerases (PARPs). Amongst the PARP family members, the DNA damage response in cancer is majorly regulated by PARP1 and PARP2. The blockade of DNA repair by PARP inhibitors leads to the progression of DNA single-strand breaks (induced by some triggering factors) to double-strand breaks. Notably, PARP inhibitors are remarkably effective in cancers with defective homologous recombination repair (HRR). In particular, cancer cells with BRCA mutations are responsive to therapy with PARP inhibitors. The aforementioned requirement for PARP inhibitors to be effective confers a narrow activity spectrum to PARP inhibitors, which hinders their clinical applicability. Thus, the quest to expand the application horizons of PARP inhibitors beyond BRCA mutations is the need of the hour. Literature precedents reveal that HDAC inhibition induces BRCAness in cancer cells and can broaden the therapeutic scope of PARP inhibitors. Driven by such disclosures, dual inhibitors targeting both PARP and HDAC enzymes were designed by our research group to extend the efficacy of PARP inhibitors beyond BRCA-mutated cancers to cancers with induced BRCAness. The design strategy involved the installation of Veliparib, an investigational PARP inhibitor, as a surface recognition part in the HDAC inhibitor pharmacophore model. The chemical architecture of veliparib was deemed appropriate as a starting point for the generation of dual inhibitors by virtue of its size and structural flexibility. A validatory docking study was conducted at the outset to predict the binding mode of the designed dual modulatory chemical architectures. Subsequently, the designed chemical architectures were synthesized via a multistep synthetic route and evaluated for antitumor efficacy. Delightfully, one compound manifested impressive anti-leukemic effects (HL-60 cell lines) mediated via dual inhibition of PARP and class I HDACs. The outcome of the western blot analysis revealed that the compound could downregulate the expression levels of PARP1 and PARP2 and the HDAC isoforms (HDAC1, 2, and 3). Also, the dual PARP-HDAC inhibitor upregulated the protein expression of the acetyl histone H3, confirming its abrogation potential for class I HDACs. In addition, the dual modulator could arrest the cell cycle at the G0/G1 phase and induce autophagy. Further, polymer-based nanoformulation of the dual inhibitor was furnished to afford targeted delivery of the dual inhibitor at the cancer site. Transmission electron microscopy (TEM) results indicate that the nanoparticles were monodispersed and spherical. Moreover, the polymeric nanoformulation exhibited an appropriate particle size. Delightfully, pH-sensitive behavior was manifested by the polymeric nanoformulation that led to selective antitumor effects towards the HL-60 cell lines. In light of the magnificent anti-leukemic profile of the identified dual PARP-HDAC inhibitor, in-vivo studies (pharmacokinetics and pharmacodynamics) are currently being conducted. Notably, the optimistic findings of the aforementioned study have spurred our research group to initiate several medicinal chemistry campaigns to create bifunctional small molecule inhibitors addressing PARP as the primary target. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=PARP%20inhibitors" title="PARP inhibitors">PARP inhibitors</a>, <a href="https://publications.waset.org/abstracts/search?q=HDAC%20inhibitors" title=" HDAC inhibitors"> HDAC inhibitors</a>, <a href="https://publications.waset.org/abstracts/search?q=BRCA%20mutations" title=" BRCA mutations"> BRCA mutations</a>, <a href="https://publications.waset.org/abstracts/search?q=leukemia" title=" leukemia"> leukemia</a> </p> <a href="https://publications.waset.org/abstracts/191592/rationally-designed-dual-parp-hdac-inhibitor-elicits-striking-anti-leukemic-effects" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/191592.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">23</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">2627</span> Effect of Electromagnetic Fields on Protein Extraction from Shrimp By-Products for Electrospinning Process</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Guido%20Trautmann-S%C3%A1ez">Guido Trautmann-Sáez</a>, <a href="https://publications.waset.org/abstracts/search?q=Mario%20P%C3%A9rez-Won"> Mario Pérez-Won</a>, <a href="https://publications.waset.org/abstracts/search?q=Vilbett%20Briones"> Vilbett Briones</a>, <a href="https://publications.waset.org/abstracts/search?q=Mar%C3%ADa%20Jos%C3%A9%20Bugue%C3%B1o"> María José Bugueño</a>, <a href="https://publications.waset.org/abstracts/search?q=Gipsy%20Tabilo-Munizaga"> Gipsy Tabilo-Munizaga</a>, <a href="https://publications.waset.org/abstracts/search?q=Luis%20Gonz%C3%A1les-Cavieres"> Luis Gonzáles-Cavieres</a> </p> <p class="card-text"><strong>Abstract:</strong></p> Shrimp by-products are a valuable source of protein. However, traditional protein extraction methods have limitations in terms of their efficiency. Protein extraction from shrimp (Pleuroncodes monodon) industrial by-products assisted with ohmic heating (OH), microwave (MW) and pulsed electric field (PEF). It was performed by chemical method (using NaOH and HCl 2M) assisted with OH, MW and PEF in a continuous flow system (5 ml/s). Protein determination, differential scanning calorimetry (DSC) and Fourier-transform infrared (FTIR). Results indicate a 19.25% (PEF) 3.65% (OH) and 28.19% (MW) improvement in protein extraction efficiency. The most efficient method was selected for the electrospinning process and obtaining fiber. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=electrospinning%20process" title="electrospinning process">electrospinning process</a>, <a href="https://publications.waset.org/abstracts/search?q=emerging%20technology" title=" emerging technology"> emerging technology</a>, <a href="https://publications.waset.org/abstracts/search?q=protein%20extraction" title=" protein extraction"> protein extraction</a>, <a href="https://publications.waset.org/abstracts/search?q=shrimp%20by-products" title=" shrimp by-products"> shrimp by-products</a> </p> <a href="https://publications.waset.org/abstracts/171420/effect-of-electromagnetic-fields-on-protein-extraction-from-shrimp-by-products-for-electrospinning-process" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/171420.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">90</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">2626</span> Physicochemical Properties of Soy Protein Isolate (SPI): Starch Conjugates Treated by Sonication</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Gulcin%20Yildiz">Gulcin Yildiz</a>, <a href="https://publications.waset.org/abstracts/search?q=Hao%20Feng"> Hao Feng</a> </p> <p class="card-text"><strong>Abstract:</strong></p> In recent years there is growing interested in using soy protein because of several advantages compared to other protein sources, such as high nutritional value, steady supply, and low cost. Soy protein isolate (SPI) is the most refined soy protein product. It contains 90% protein in a moisture-free form and has some desirable functionalities. Creating a protein-polysaccharide conjugate to be the emulsifying agent rather than the protein alone can markedly enhance its stability. This study was undertaken to examine the effects of ultrasound treatments on the physicochemical properties of SPI-starch conjugates. The soy protein isolate (SPI, Pro-Fam® 955) samples were obtained from the Archer Daniels Midland Company. Protein concentrations were analyzed by the Bardford method using BSA as the standard. The volume-weighted mean diameters D [4,3] of protein–polysaccharide conjugates were measured by dynamic light scattering (DLS). Surface hydrophobicity of the conjugates was measured by using 1-anilino-8-naphthalenesulfonate (ANS) (Sigma-Aldrich, St. Louis, MO, USA). Increasing the pH from 2 to 12 resulted in increased protein solubility. The highest solubility was 69.2% for the sample treated with ultrasonication at pH 12, while the lowest (9.13%) was observed in the Control. For the other pH conditions, the protein solubility values ranged from 40.53 to 49.65%. The ultrasound treatment significantly decreased the particle sizes of the SPI-modified starch conjugates. While the D [4,3] for the Control was 731.6 nm, it was 293.7 nm for the samples treated by sonication at pH 12. The surface hydrophobicity (H0) of SPI-starch at all pH conditions were significantly higher than those in the Control. Ultrasonication was proven to be effective in improving the solubility and emulsifying properties of soy protein isolate-starch conjugates. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=particle%20size" title="particle size">particle size</a>, <a href="https://publications.waset.org/abstracts/search?q=solubility" title=" solubility"> solubility</a>, <a href="https://publications.waset.org/abstracts/search?q=soy%20protein%20isolate" title=" soy protein isolate"> soy protein isolate</a>, <a href="https://publications.waset.org/abstracts/search?q=ultrasonication" title=" ultrasonication"> ultrasonication</a> </p> <a href="https://publications.waset.org/abstracts/64023/physicochemical-properties-of-soy-protein-isolate-spi-starch-conjugates-treated-by-sonication" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/64023.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">422</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">2625</span> Network Pharmacological Evaluation of Holy Basil Bioactive Phytochemicals for Identifying Novel Potential Inhibitors Against Neurodegenerative Disorder</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Bhuvanesh%20Baniya">Bhuvanesh Baniya</a> </p> <p class="card-text"><strong>Abstract:</strong></p> Alzheimer disease is illnesses that are responsible for neuronal cell death and resulting in lifelong cognitive problems. Due to their unclear mechanism, there are no effective drugs available for the treatment. For a long time, herbal drugs have been used as a role model in the field of the drug discovery process. Holy basil in the Indian medicinal system (Ayurveda) is used for several neuronal disorders like insomnia and memory loss for decades. This study aims to identify active components of holy basil as potential inhibitors for the treatment of Alzheimer disease. To fulfill this objective, the Network pharmacology approach, gene ontology, pharmacokinetics analysis, molecular docking, and molecular dynamics simulation (MDS) studies were performed. A total of 7 active components in holy basil, 12 predicted neurodegenerative targets of holy basil, and 8063 Alzheimer-related targets were identified from different databases. The network analysis showed that the top ten targets APP, EGFR, MAPK1, ESR1, HSPA4, PRKCD, MAPK3, ABL1, JUN, and GSK3B were found as significant target related to Alzheimer disease. On the basis of gene ontology and topology analysis results, APP was found as a significant target related to Alzheimer’s disease pathways. Further, the molecular docking results to found that various compounds showed the best binding affinities. Further, MDS top results suggested could be used as potential inhibitors against APP protein and could be useful for the treatment of Alzheimer’s disease. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=holy%20basil" title="holy basil">holy basil</a>, <a href="https://publications.waset.org/abstracts/search?q=network%20pharmacology" title=" network pharmacology"> network pharmacology</a>, <a href="https://publications.waset.org/abstracts/search?q=neurodegeneration" title=" neurodegeneration"> neurodegeneration</a>, <a href="https://publications.waset.org/abstracts/search?q=active%20phytochemicals" title=" active phytochemicals"> active phytochemicals</a>, <a href="https://publications.waset.org/abstracts/search?q=molecular%20docking%20and%20simulation" title=" molecular docking and simulation"> molecular docking and simulation</a> </p> <a href="https://publications.waset.org/abstracts/162002/network-pharmacological-evaluation-of-holy-basil-bioactive-phytochemicals-for-identifying-novel-potential-inhibitors-against-neurodegenerative-disorder" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/162002.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">101</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">2624</span> Investigation of Acidizing Corrosion Inhibitors for Mild Steel in Hydrochloric Acid: Theoretical and Experimental Approaches</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Ambrish%20Singh">Ambrish Singh</a> </p> <p class="card-text"><strong>Abstract:</strong></p> The corrosion inhibition performance of pyran derivatives (AP) on mild steel in 15% HCl was investigated by electrochemical impedance spectroscopy (EIS), potentiodynamic polarization, weight loss, contact angle, and scanning electron microscopy (SEM) measurements, DFT and molecular dynamic simulation. The adsorption of APs on the surface of mild steel obeyed Langmuir isotherm. The potentiodynamic polarization study confirmed that inhibitors are mixed type with cathodic predominance. Molecular dynamic simulation was applied to search for the most stable configuration and adsorption energies for the interaction of the inhibitors with Fe (110) surface. The theoretical data obtained are, in most cases, in agreement with experimental results. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=acidizing%20inhibitor" title="acidizing inhibitor">acidizing inhibitor</a>, <a href="https://publications.waset.org/abstracts/search?q=pyran%20derivatives" title=" pyran derivatives"> pyran derivatives</a>, <a href="https://publications.waset.org/abstracts/search?q=DFT" title=" DFT"> DFT</a>, <a href="https://publications.waset.org/abstracts/search?q=molecular%20simulation" title=" molecular simulation"> molecular simulation</a>, <a href="https://publications.waset.org/abstracts/search?q=mild%20steel" title=" mild steel"> mild steel</a>, <a href="https://publications.waset.org/abstracts/search?q=EIS" title=" EIS"> EIS</a> </p> <a href="https://publications.waset.org/abstracts/115084/investigation-of-acidizing-corrosion-inhibitors-for-mild-steel-in-hydrochloric-acid-theoretical-and-experimental-approaches" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/115084.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">196</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">2623</span> Effect of Removing Hub Domain on Human CaMKII Isoforms Sensitivity to Calcium/Calmodulin</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Ravid%20Inbar">Ravid Inbar</a> </p> <p class="card-text"><strong>Abstract:</strong></p> CaMKII (calcium-calmodulin dependent protein kinase II) makes up 2% of the protein in our brain and has a critical role in memory formation and long-term potentiation of neurons. Despite this, research has yet to uncover the role of one of the domains on the activation of this kinase. The following proposes to express the protein without the hub domain in E. coli, leaving only the kinase and regulatory segment of the protein. Next, a series of kinase assays will be conducted to elucidate the role the hub domain plays on CaMKII sensitivity to calcium/calmodulin activation. The hub domain may be important for activation; however, it may also be a variety of domains working together to influence protein activation and not the hub alone. Characterization of a protein is critical to the future understanding of the protein's function, as well as for producing pharmacological targets in cases of patients with diseases. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=CaMKII" title="CaMKII">CaMKII</a>, <a href="https://publications.waset.org/abstracts/search?q=hub%20domain" title=" hub domain"> hub domain</a>, <a href="https://publications.waset.org/abstracts/search?q=kinase%20assays" title=" kinase assays"> kinase assays</a>, <a href="https://publications.waset.org/abstracts/search?q=kinase%20%2B%20reg%20seg" title=" kinase + reg seg"> kinase + reg seg</a> </p> <a href="https://publications.waset.org/abstracts/157748/effect-of-removing-hub-domain-on-human-camkii-isoforms-sensitivity-to-calciumcalmodulin" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/157748.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">90</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">2622</span> In-Depth Analysis on Sequence Evolution and Molecular Interaction of Influenza Receptors (Hemagglutinin and Neuraminidase)</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Dong%20Tran">Dong Tran</a>, <a href="https://publications.waset.org/abstracts/search?q=Thanh%20Dac%20Van"> Thanh Dac Van</a>, <a href="https://publications.waset.org/abstracts/search?q=Ly%20Le"> Ly Le </a> </p> <p class="card-text"><strong>Abstract:</strong></p> Hemagglutinin (HA) and Neuraminidase (NA) play an important role in host immune evasion across influenza virus evolution process. The correlation between HA and NA evolution in respect to epitopic evolution and drug interaction has yet to be investigated. In this study, combining of sequence to structure evolution and statistical analysis on epitopic/binding site specificity, we identified potential therapeutic features of HA and NA that show specific antibody binding site of HA and specific binding distribution within NA active site of current inhibitors. Our approach introduces the use of sequence variation and molecular interaction to provide an effective strategy in establishing experimental based distributed representations of protein-protein/ligand complexes. The most important advantage of our method is that it does not require complete dataset of complexes but rather directly inferring feature interaction from sequence variation and molecular interaction. Using correlated sequence analysis, we additionally identified co-evolved mutations associated with maintaining HA/NA structural and functional variability toward immunity and therapeutic treatment. Our investigation on the HA binding specificity revealed unique conserved stalk domain interacts with unique loop domain of universal antibodies (CR9114, CT149, CR8043, CR8020, F16v3, CR6261, F10). On the other hand, NA inhibitors (Oseltamivir, Zaninamivir, Laninamivir) showed specific conserved residue contribution and similar to that of NA substrate (sialic acid) which can be exploited for drug design. Our study provides an important insight into rational design and identification of novel therapeutics targeting universally recognized feature of influenza HA/NA. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=influenza%20virus" title="influenza virus">influenza virus</a>, <a href="https://publications.waset.org/abstracts/search?q=hemagglutinin%20%28HA%29" title=" hemagglutinin (HA)"> hemagglutinin (HA)</a>, <a href="https://publications.waset.org/abstracts/search?q=neuraminidase%20%28NA%29" title=" neuraminidase (NA)"> neuraminidase (NA)</a>, <a href="https://publications.waset.org/abstracts/search?q=sequence%20evolution" title=" sequence evolution"> sequence evolution</a> </p> <a href="https://publications.waset.org/abstracts/84651/in-depth-analysis-on-sequence-evolution-and-molecular-interaction-of-influenza-receptors-hemagglutinin-and-neuraminidase" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/84651.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">164</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">2621</span> Fortification of Concentrated Milk Protein Beverages with Soy Proteins: Impact of Divalent Cations and Heating Treatment on the Physical Stability</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Yichao%20Liang">Yichao Liang</a>, <a href="https://publications.waset.org/abstracts/search?q=Biye%20Chen"> Biye Chen</a>, <a href="https://publications.waset.org/abstracts/search?q=Xiang%20Li"> Xiang Li</a>, <a href="https://publications.waset.org/abstracts/search?q=Steven%20R.%20Dimler"> Steven R. Dimler</a> </p> <p class="card-text"><strong>Abstract:</strong></p> This study investigated the effects of adding calcium and magnesium chloride on heat and storage stability of milk protein concentrate-soy protein isolate (8:2 respectively) mixtures containing 10% w/w total protein subjected to the in-container sterilization (115 °C x 15 min). The particle size does not change when emulsions are heated at pH between 6.7 and 7.3 irrespective of the mixed protein ratio. Increasing concentration of divalent cation salts resulted in an increase in protein particle size, dry sediment formation and sediment height and a decrease in pH, heat stability and hydration in milk protein concentrate-soy protein isolate mixtures solutions on sterilization at 115°C. Fortification of divalent cation salts in milk protein concentrate-soy protein isolate mixture solutions resulted in an accelerated protein sedimentation and two unique sediment regions during accelerated storage stability testing. Moreover, the heat stability decreased upon sterilization at 115°C, with addition of MgCl₂ causing a greater increase in sedimentation velocity and compressibility than CaCl₂. Increasing pH value of protein milk concentrate-soy protein isolate mixtures solutions from 6.7 to 7.2 resulted in an increase in viscosity following the heat treatment. The study demonstrated that the type and concentration of divalent cation salts used strongly impact heat and storage stability of milk protein concentrate-soy protein isolate mixture nutritional beverages. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=divalent%20cation%20salts" title="divalent cation salts">divalent cation salts</a>, <a href="https://publications.waset.org/abstracts/search?q=heat%20stability" title=" heat stability"> heat stability</a>, <a href="https://publications.waset.org/abstracts/search?q=milk%20protein%20concentrate" title=" milk protein concentrate"> milk protein concentrate</a>, <a href="https://publications.waset.org/abstracts/search?q=soy%20protein%20isolate" title=" soy protein isolate"> soy protein isolate</a>, <a href="https://publications.waset.org/abstracts/search?q=storage%20stability" title=" storage stability"> storage stability</a> </p> <a href="https://publications.waset.org/abstracts/94469/fortification-of-concentrated-milk-protein-beverages-with-soy-proteins-impact-of-divalent-cations-and-heating-treatment-on-the-physical-stability" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/94469.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">331</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">2620</span> The Relation Between Protein-Protein and Polysaccharide-Protein Interaction on Aroma Release from Brined Cheese Model</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Mehrnaz%20Aminifar">Mehrnaz Aminifar</a> </p> <p class="card-text"><strong>Abstract:</strong></p> The relation between textural parameters and casein network on release of aromatic compounds was investigated over 90-days of ripening. Low DE maltodextrin and WPI were used to modify the textural properties of low fat brined cheese. Hardness, brittleness and compaction of casein network were affected by addition of maltodextrin and WPI. Textural properties and aroma release from cheese texture were affected by interaction of WPI protein-cheese protein and maltodexterin-cheese protein. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=aroma%20release" title="aroma release">aroma release</a>, <a href="https://publications.waset.org/abstracts/search?q=brined%20cheese" title=" brined cheese"> brined cheese</a>, <a href="https://publications.waset.org/abstracts/search?q=maltodexterin" title=" maltodexterin"> maltodexterin</a>, <a href="https://publications.waset.org/abstracts/search?q=WPI" title=" WPI"> WPI</a> </p> <a href="https://publications.waset.org/abstracts/6193/the-relation-between-protein-protein-and-polysaccharide-protein-interaction-on-aroma-release-from-brined-cheese-model" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/6193.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">355</span> </span> </div> </div> <ul class="pagination"> <li class="page-item"><a class="page-link" href="https://publications.waset.org/abstracts/search?q=NS5%20protein%20inhibitors&page=1" rel="prev">&lsaquo;</a></li> <li class="page-item"><a class="page-link" href="https://publications.waset.org/abstracts/search?q=NS5%20protein%20inhibitors&page=1">1</a></li> <li class="page-item active"><span class="page-link">2</span></li> <li class="page-item"><a class="page-link" href="https://publications.waset.org/abstracts/search?q=NS5%20protein%20inhibitors&page=3">3</a></li> <li class="page-item"><a class="page-link" href="https://publications.waset.org/abstracts/search?q=NS5%20protein%20inhibitors&page=4">4</a></li> <li class="page-item"><a class="page-link" href="https://publications.waset.org/abstracts/search?q=NS5%20protein%20inhibitors&page=5">5</a></li> <li class="page-item"><a class="page-link" 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