Identification of key interactions between SARS-CoV-2 main protease and inhibitor drug candidates.

ABSTRACT: The number of cases of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infection (COVID-19) has reached over 114,000. SARS-CoV-2 caused a pandemic in Wuhan, China, in December 2019 and is rapidly spreading globally. It has been reported that peptide-like anti-HIV-1 drugs are effective against SARS-CoV Main protease (M^pro). Due to the close phylogenetic relationship between SARS-CoV and SARS-CoV-2, their main proteases share many structural and functional features. Thus, these drugs are also regarded as potential drug candidates targeting SARS-CoV-2 M^pro. However, the mechanism of action of SARS-CoV-2 M^pro at the atomic-level is unknown. In the present study, we revealed key interactions between SARS-CoV-2 M^pro and three drug candidat

SUBMITTER: Yoshino R 

PROVIDER: S-EPMC7385649 | biostudies-literature | 2020 Jul

REPOSITORIES: biostudies-literature