Binding site analysis of potential protease inhibitors of COVID-19 using AutoDock
نویسندگان
چکیده
منابع مشابه
Screening Efficacy of Available HIV Protease Inhibitors on COVID-19 Protease
Background and Aim: Advent of COVID-19 attracted the attentions of researchers to develop drugs for its treatment. Besides efforts on developing new drugs, screening available drugs for 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. Methods: Molecular docking based scree...
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متن کاملTHE DESIGN, MODELING AND EVALUATION OF POTENTIAL HIV PROTEASE INHIBITORS USING BLITZ, AN INTERACTIVE COMPUTER GRAPHICS WORKING TOOL
Several nonpeptide small molecules were designed as potential inhibitors of HIV protease and their structures were constructed by computer-aided molecular modeling and docked iwo the active site of HIV protease. Models of the complexes of inhibitors and the HIV protease were refined using nonbonded and H-bonding terms. The refined energy of selected complexes showed that the designed inhib...
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ژورنال
عنوان ژورنال: VirusDisease
سال: 2020
ISSN: 2347-3584,2347-3517
DOI: 10.1007/s13337-020-00585-z