Deciphering the Potential of Pre and Pro-Vitamin D of Mushrooms against Mpro and PLpro Proteases of COVID-19: An In Silico Approach.

ABSTRACT: Vitamin D's role in combating the SARS-CoV-2 (severe acute respiratory syndrome coronavirus 2), the virus causing COVID-19, has been established in unveiling viable inhibitors of COVID-19. The current study investigated the role of pre and pro-vitamin D bioactives from edible mushrooms against Mpro and PLpro proteases of SARS-CoV-2 by computational experiments. The bioactives of mushrooms, specifically ergosterol (provitamin D₂), 7-dehydrocholesterol (provitamin-D₃), 22,23-dihydroergocalciferol (provitamin-D₄), cholecalciferol (vitamin-D₃), and ergocalciferol (vitamin D₂) were screened against Mpro and PLpro. Molecular docking analyses of the generated bioactive protease complexes unravelled the differential docking energies, which ran

SUBMITTER: Tiwari A 

PROVIDER: S-EPMC9458008 | biostudies-literature | 2022 Aug

REPOSITORIES: biostudies-literature