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

Molecular diversity(2022)

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摘要
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 IC 50 value of 12.02 ± 0.046 μM. The molecular docking study revealed that the compound targets Glu166 residue of M pro enzyme, hence preventing dimerization of SARS-CoV-2 M pro monomer. Additionally, the compound also exhibited anti-inflammatory and anti-oxidant property, suggesting that setomimycin may be a viable option for application against COVID-19 infections. Graphical abstract
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关键词
COVID-19 target,In silico,Main protease (Mpro),SARS-CoV-2,Setomimycin
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