In silico prediction of mozenavir as a potential drug for SARS-CoV-2 infection via binding multiple drug targets.

ABSTRACT: Since the epidemic began in November 2019, no viable medicine against SARS-CoV-2 has been discovered. The typical medication discovery strategy requires several years of rigorous research and development as well as a significant financial commitment, which is not feasible in the face of the current epidemic. Through molecular docking and dynamic simulation studies, we used the FDA-approved drug mezonavir against the most important viral targets, including spike (S) glycoprotein, Transmembrane serine protease 2 (TMPRSS2), RNA-dependent RNA polymerase (RdRp), Main protease (Mpro), human angiotensin-converting enzyme 2 (ACE-2), and furin. These targets are critical for viral replication and infection propagation because they play a key role in replication/transcription and host cell recogniti

SUBMITTER: Mamidala E 

PROVIDER: S-EPMC8522677 | biostudies-literature | 2022 Feb

REPOSITORIES: biostudies-literature