Effects of Apigenin Isolated From Christia vespertilionis Leaves on Anti-SARS-CoV-2 Activity: In Silico and In Vitro Studies.

The coronavirus disease (COVID-19) endemic has urged an intensive search for effective treatments to fight the infections. The lack of effective medication against SARS-CoV-2 infections has led to alternative treatment approaches, with medicinal plants as promising candidates in the ongoing development of anti-SARS-CoV-2 therapeutics. In this present study, apigenin-6-C-β-glucoside-4'-O-α-apiofuranoside (AGA), a phytochemical compound found in Christia vespertilionis methanolic leaves extract (MeCV) was screened for anti-SARS-CoV-2 via in silico molecular docking approach on angiotensin-converting enzyme 2 (ACE2) receptor. The methanol extract, fractions, and AGA were assessed for in vitro anti-SARS-CoV-2 assay. Molecular docking analysis showed that AGA (-71.7 kJ/mol) demonstrated potential binding interactions with ACE2 residues comparable to MLN-4760 (-70.4 kJ/mol), a potent and selective human ACE2 inhibitor. The in vitro result revealed that methanolic extract exhibited the highest antiviral effect compared to other tested samples. These findings suggest that methanol extract contains active antiviral compounds and could be the potential anti-SARS-CoV-2 agent.