Setomimycin as a potential molecule for COVID‑19 target: in silico approach and in vitro validation.

ABSTRACT: COVID-19 pandemic caused by the SARS-CoV-2 virus has led to a worldwide crisis. In view of emerging variants time to time, there is a pressing need of effective COVID-19 therapeutics. Setomimycin, a rare tetrahydroanthracene antibiotic, remained unexplored for its therapeutic uses. Herein, we report our investigations on the potential of setomimycin as COVID-19 therapeutic. Pure setomimycin was isolated from Streptomyces sp. strain RA-WS2 from NW Himalayan region followed by establishing in silico as well as in vitro anti-SARS-CoV-2 property of the compound against SARS-CoV-2 main protease (M^pro). It was found that the compound targets M^pro enzyme with an IC₅₀ value of 12.02 ± 0.046 μM. The molecular docking study revealed that the compound targets Glu166 r

SUBMITTER: Manhas RS 

PROVIDER: S-EPMC9136828 | biostudies-literature | 2023 Apr

REPOSITORIES: biostudies-literature