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صفحه اصلی
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بیست و نهمین کنفرانس شیمی آلی ایران
Design, synthesis, molecular docking study and biological evaluation of synthesis of new schiff base as COVID-19 protease inhibitors
نویسندگان :
Parisa Babaei ( دانشگاه آزاد اسلامی واحد اردبیل )
کلید واژه ها :
COVID-19،Molecular Docking Simulation،Schiff base،HIV
چکیده مقاله :
Advent of COVID-19 attracted the attentions of researchers to develop drugs for its treatment. Besides efforts on developing new drugs, screening available drugs to see their efficacy on COVID-19 could be an urgent action of initiating its pharmacotherapy. In this study, efficacy of HIV protease inhibitors on COVID-19 protease has been examined [1-3]. In this research, new Schiff base ligand was synthesized, and the structure of the reaction product has been identified using spectral data (Scheme 1). Molecular docking based screening by AutoDock software has been done to examine the efficacy of ligand-receptor interactions. Obtained results of binding energy, inhibitory constant and interactions quality have approved the idea of efficacy of HIV protease inhibitors on COVID-19 protease. Quantitative results indicated different levels of efficacy of investigated ligand for inhibitory activity of COVID-19 and qualitative results indicated localization of ligand in the proposed active site of protease.
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