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ISSN (Print): 2666-7967
ISSN (Online): 2666-7975

Research Article

Natural Products as Anti-COVID-19 Agents: An In Silico Study

Author(s): Chandan Sarkar, Sarmin Jamaddar, Milon Mondal, Abul Bashar Ripon Khalipha, Muhammad Torequl Islam* and Mohammad S. Mubarak*

Volume 2, Issue 5, 2021

Published on: 16 November, 2020

Article ID: e300421188012 Pages: 8

DOI: 10.2174/2666796701999201116124851


Background: The coronavirus disease 2019 (COVID-19) is a life-threatening viral infection caused by a positive-strand RNA virus belonging to the Coronaviridae family called severe acute respiratory distress syndrome coronavirus 2 (SARS-CoV-2). This virus has infected millions of peoples and caused hundreds of thousands of deaths around the world. Unfortunately, to date, there is no specific cure for SARS-CoV-2 infection, although researchers are working tirelessly to come up with a drug against this virus. Recently, the main viral protease has been discovered and is regarded as an appropriate target for antiviral agents in the search for the treatment of SARS-CoV-2 infection due to its role in polyproteins processing coronavirus replication.

Materials and Methods: This investigation (an in silico study) explores the effectiveness of 16 natural compounds from a literature survey against the protease of SARS-CoV-2 in an attempt to identify a promising antiviral agent through a molecular docking study.

Results: Among the 16 compounds studied, apigenin, alpha-hederin, and asiatic acid exhibited significant docking performance and interacted with several amino acid residues of the main protease of SARS-CoV-2.

Conclusion: In summary, apigenin, alpha-hederin, and asiatic acid protease inhibitors may be effective potential antiviral agents against the main viral protease (Mpro) to combat SARS-CoV-2.

Keywords: SARS-CoV-2, COVID-19, protease inhibitors, natural products, in silico screening, apigenin.

Graphical Abstract
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