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In silico screening of potential inhibitors from Cordyceps species against SARS-CoV-2 main protease by Niketan Deshmukh; Reshma Talkal; Bhaskaran Lakshmi is a Biochemistry, Genetics and Molecular Biology article available to read on EtoBox.

What is In silico screening of potential inhibitors from Cordyceps species against SARS-CoV-2 main protease about?

Abstract Coronavirus disease 2019 (COVID-19) is a result of a retroviral infection of SARS-CoV-2. Due to its virulence and high infection rate, it is a matter of serious concern and a global health emergency. Currently available COVID-19 vaccines approved by regulatory bodies around the world have been shown to provide significant protection against COVID-19. But no vaccine is 100% effective at preventing infection, also they have varying efficacy rates and different side effects. However, the main protease (Mpro) of SARS-CoV-2 has been identified as a key drug target due to its essential role in viral infection and its minimal similarity with human proteases. Cordyceps mushrooms have been found to have various therapeutic properties that could effectively combat SARS-CoV-2, including improve lung functioning, anti-viral, immunomodulators, anti-infectious, and anti-inflammatory. The present study aims to screen and evaluate the inhibitory potential of the bioactive molecules from the Cordyceps species against the Mpro of SARS-CoV-2. The bioactive molecules were screened based on their docking score, molecular interactions in the binding pocket, ADME properties, toxicity, carcinogen

Who reads In silico screening of potential inhibitors from Cordyceps species against SARS-CoV-2 main protease?

Author

Niketan Deshmukh; Reshma Talkal; Bhaskaran Lakshmi

Publisher

Informa UK Limited

Published

2023

Language

EN

Field

Biochemistry, Genetics and Molecular Biology (Life Sciences)