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## Abstract Aims: Coronavirus disease 2019 (COVID-19) has emerged in Wuhan, China, and because of fast transmission, it has led to its extensive prevalence in almost all countries, which has made it a global crisis. This study aims to recognize a possible small molecule as a main protease inhibitor versus the main protease protein of SARS-CoV-2 by the computational program.Methods: Virtual screening procedures like using molegro virtual docker, auto dock tools, and auto dock Vina, was done for more than 1600 FDA-approved medicines that download from the ZINC database, were employed to characterize new implied molecule inhibitors for the recently published crystal structure of the main protease protein of SARS-CoV-2. Result: The result indicates that Velpatasvir, angiotensin receptor blockers, cephalosporins, and also atorvastatin could fit adequately to the binding site of the main protease. Because of some other beneficial features, including anti-infectious, anti-inflammatory properties, and ADME profile, they might be a promising drug nominee for repurposing to the treatment of COVID-19.Discussion: Velpatasvir was selected by combining some virtual screening methods for furthers

Author

Mohammad Amin Manavi

Publisher

Research Square Platform LLC

Published

2021

Language

EN