Structure-based identification of SARS-CoV-2 main protease inhibitors from anti-viral specific chemical libraries: an exhaustive computational screening approach.

ABSTRACT: Worldwide coronavirus disease 2019 (COVID-19) outbreak is still threatening global health since its outbreak first reported in the late 2019. The causative novel virus has been designated as severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). Although COVID-19 emergent with significant mortality, there is no availability of definite treatment measures. It is now extremely desirable to identify potential chemical entities against SARS-CoV-2 for the treatment of COVID-19. In the present study, a state-of-art virtual screening protocol was implemented on three anti-viral specific chemical libraries against SARS-CoV-2 main protease (M^pro). Particularly, viewing the large-scale biological role of M^pro in the viral replication process it has been considered as a p

SUBMITTER: Bhowmick S 

PROVIDER: S-EPMC8039805 | biostudies-literature | 2021 Aug

REPOSITORIES: biostudies-literature