Quantitative Structure Activity Relationship and Insilco Docking of Substituted 1,3,4-Oxadiazole Derivatives as Potential Glucosamine-6-Phosphate Synthase Inhibitors

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Relationship and Insilco Docking of Substituted 1,3,4-Oxadiazole Derivatives as Potential Glucosamine-6-Phosphate Synthase Inhibitors</title> <meta name="description" content="Quantitative Structure Activity Relationship and Insilco Docking of Substituted 1,3,4-Oxadiazole Derivatives as Potential Glucosamine-6-Phosphate Synthase Inhibitors"> <meta name="keywords" content="1,3,4-oxadiazole, QSAR, multiple linear regression, docking, glucosamine-6-phosphate synthase"> <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> 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<div class="col-sm-3"> <div class="card"> <div class="card-body"><strong>Paper Count:</strong> 87402</div> </div> </div> </div> <div class="card publication-listing mt-3 mb-3"> <h5 class="card-header" style="font-size:.9rem">Quantitative Structure Activity Relationship and Insilco Docking of Substituted 1,3,4-Oxadiazole Derivatives as Potential Glucosamine-6-Phosphate Synthase Inhibitors</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Suman%20Bala">Suman Bala</a>, <a href="https://publications.waset.org/abstracts/search?q=Sunil%20Kamboj"> Sunil Kamboj</a>, <a href="https://publications.waset.org/abstracts/search?q=Vipin%20Saini"> Vipin Saini</a> </p> <p class="card-text"><strong>Abstract:</strong></p> Quantitative Structure Activity Relationship (QSAR) analysis has been developed to relate antifungal activity of novel substituted 1,3,4-oxadiazole against <em>Candida albicans</em> and <em>Aspergillus niger</em> using computer assisted multiple regression analysis. The study has shown the better relationship between antifungal activities with respect to various descriptors established by multiple regression analysis. The analysis has shown statistically significant correlation with R<sup>2</sup> values 0.932 and 0.782 against <em>Candida albicans</em> and <em>Aspergillus niger</em> respectively. These derivatives were further subjected to molecular docking studies to investigate the interactions between the target compounds and amino acid residues present in the active site of glucosamine-6-phosphate synthase. All the synthesized compounds have better docking score as compared to standard fluconazole. Our results could be used for the further design as well as development of optimal and potential antifungal agents. <iframe src="https://publications.waset.org/abstracts/37494.pdf" style="width:100%; height:400px;" frameborder="0"></iframe> <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=1" title="1">1</a>, <a href="https://publications.waset.org/abstracts/search?q=3" title="3">3</a>, <a href="https://publications.waset.org/abstracts/search?q=4-oxadiazole" title="4-oxadiazole">4-oxadiazole</a>, <a href="https://publications.waset.org/abstracts/search?q=QSAR" title=" QSAR"> QSAR</a>, <a href="https://publications.waset.org/abstracts/search?q=multiple%20linear%20regression" title=" multiple linear regression"> multiple linear regression</a>, <a href="https://publications.waset.org/abstracts/search?q=docking" title=" docking"> docking</a>, <a href="https://publications.waset.org/abstracts/search?q=glucosamine-6-phosphate%20synthase" title=" glucosamine-6-phosphate synthase"> glucosamine-6-phosphate synthase</a> </p> <a href="https://publications.waset.org/abstracts/37494/quantitative-structure-activity-relationship-and-insilco-docking-of-substituted-134-oxadiazole-derivatives-as-potential-glucosamine-6-phosphate-synthase-inhibitors" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/37494.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">341</span> </span> </div> </div> </div> </main> <footer> <div id="infolinks" class="pt-3 pb-2"> <div class="container"> <div style="background-color:#f5f5f5;" class="p-3"> <div class="row"> <div class="col-md-2"> <ul class="list-unstyled"> About <li><a href="https://waset.org/page/support">About Us</a></li> <li><a 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Quantitative Structure Activity Relationship and Insilco Docking of Substituted 1,3,4-Oxadiazole Derivatives as Potential Glucosamine-6-Phosphate Synthase Inhibitors