Computational Identification of SARS-CoV-2 Inhibitor in , .

Virusdisease

Department of Applied Sciences, Indian Institute of Information Technology Allahabad, Prayagraj, Uttar Pradesh India.

Published: September 2021

A novel coronavirus disease (COVID-19), caused by SARS-CoV-2, has spread over more than 100 countries all over the world. The World Health Organization has recognized Coronavirus as a pandemic and finding an effective drug for this infectious disease is of high importance. In this study, we have explored the potent inhibitors of COVID-19 main protease from Tinospora cordifolia an Ayurvedic herb locally called as Amrita meaning 'immortality' and two other Ayurveda plants namely Cinnamomum zeylanicum and Myristica fragrans. Saponarin, a phytochemical present in Tinospora cordifolia showed a very promising result with the binding affinity of - 8.75 kcal/mol. Remdesivir and Favipiravir, the experimental drugs that are known to show inhibitory activity towards COVID-19 are used as a control. The Docking results were verified by the means of molecular dynamic analysis. This study suggests that Saponarin can be a potential inhibitor for the main protease of the COVID-19.

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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8312711PMC
http://dx.doi.org/10.1007/s13337-021-00721-3DOI Listing

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