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
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.