Bioinformatic Analysis of Antiviral Medicinal Compounds Against Sars Cov-2 Proteases

Antiviral Medicinal Compounds Against COVID-19

Authors

  • Fahad Hassan Shah Department of Biological Sciences, College of Natural Sciences, Kongju National University, Gongju 32588, Republic of Korea
  • Kyeong Ho Lim Department of Construction and Environmental Engineering, College of Engineering, Kongju National University, Cheonan 31080, Republic of Korea.
  • Song Ja Kim Kongju National University

DOI:

https://doi.org/10.48129/kjs.splcov.15451

Abstract

The world is under siege from a global pandemic caused by a novel class of coronaviruses called severe acute respiratory syndrome coronavirus-2 (SARS CoV-2). These viruses cause severe respiratory illness leading to death. Molecular studies reveal that SARS CoV-2 proteases are involved in the processing of viral polyproteins. This study was conducted to obtain antiviral agents for SARS CoV-2 proteases. An extensive library of antiviral medicinal compounds were scrutinized to determine the probable interaction with both Main and 3-Chymotrypsin like proteases. Six antiviral compounds (Abietic Acid, Gallic Acid, Piceatannol, Piperine, Sinomenine, and Triptolide) were capable of establishing hydrogen bonds with the active pocket residues of the viral proteases, with appreciable binding energy. These compounds underwent root mean square analysis and were tested for acute toxicity, and absorption, distribution, metabolism, excretion, and toxicity properties. Results were favourable for use in the treatment of SARS COV-2 infection.

Author Biographies

Fahad Hassan Shah, Department of Biological Sciences, College of Natural Sciences, Kongju National University, Gongju 32588, Republic of Korea

Research Associate

Kyeong Ho Lim, Department of Construction and Environmental Engineering, College of Engineering, Kongju National University, Cheonan 31080, Republic of Korea.

Professor

Published

06-12-2021

Issue

Section

Biology