Identification of potential edible mushroom as SARS-CoV-2 main protease inhibitor using rational drug designing approach.

ABSTRACT: Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2) is highly pathogenic to humans and has created health care threats worldwide. This urgent situation has focused the researchers worldwide towards the development of novel vaccine or small molecule therapeutics for SARS-CoV-2. Although several vaccines have already been discovered and are in use for the masses, no therapeutic medication has yet been approved by FDA for the treatment of COVID-19. Keeping this in view, in the present study, we have identified promising hits against the main protease (M^pro) of SARS-CoV-2 from edible mushrooms. Structure-based virtual screening (VS) of 2433 compounds derived from mushrooms was performed with M^pro protein (6LU7). Four promising hits, namely, Kynapcin-12 (M_78), Ky

SUBMITTER: Sen D 

PROVIDER: S-EPMC8795408 | biostudies-literature | 2022 Jan

REPOSITORIES: biostudies-literature