Setomimycin As a Potential Molecule for COVID‑19 Target: in Silico Approach and in Vitro Validation

Overview

Journal Mol Divers

Date 2022 May 27

PMID 35622309

Authors

Ravi S Manhas

Harshita Tiwari

Mateen Noor

Ajaz Ahmed

Jyoti Vishwakarma

Raja B M Tripathi

Ravishankar Ramachandran

Sreedhar Madishetti

Debaraj Mukherjee

Amit Nargotra

Asha Chaubey

Affiliations

Soon will be listed here.

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). It was found that the compound targets M enzyme with an IC value of 12.02 ± 0.046 μM. The molecular docking study revealed that the compound targets Glu166 residue of M enzyme, hence preventing dimerization of SARS-CoV-2 M 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.

Citing Articles

Identification and taxonomy of strain RA-WS2: a novel setomimycin producing actinobacterium.

Manhas R, Chander D, Chaubey A 3 Biotech. 2023; 13(2):47.

PMID: 36643399 PMC: 9837335. DOI: 10.1007/s13205-023-03459-5.

A biostatistical approach for augmenting rare bianthraquinone antibiotic production by Streptomyces sp. RA-WS2 using Taguchi design.

Manhas R, Kumar A, Chaubey A AMB Express. 2022; 12(1):155.

PMID: 36515787 PMC: 9751253. DOI: 10.1186/s13568-022-01497-5.

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