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Updated: Dec 3, 2025

Pharmacophore Modeling for Targets with Extensive Ligand Libraries: A Case Study on SARS-CoV-2 Mpro
Published on: September 26, 2025
Potential of Ficus microcarpa metabolites against SARS-CoV-2 main protease supported by docking studies
Heba Ali Hassan1, Usama Ramadan Abdelmohsen1,2, Omar M Aly3
1Pharmacognosy Department, Faculty of Pharmacy, Deraya University, New Minia City, Egypt.
Abstract:
COVID 19; an infectious disease; firstly identified in December 2019 in Wuhan, China and has since spread globally, resulting in an ongoing pandemic. Searching for protease inhibitors is a challenging task in controlling COVID 19. Genus Ficus is known to be a rich source of phenolic compounds. Metabolic profiling of leaves methanolic extract of Ficus microcarpa (Moraceae) revealed nine compounds (1-9) mainly phenolics. Docking studies concerning these compounds against SARS-CoV-2 main protease showed that quercetin 3,7-O-α-L-dirhamnoside (1) and rutin (3) possessed significant binding stability at the N3 binding site in different activity degrees, which is comparable with COVID-19 main protease inhibitor, darunavir. Our study suggests that compounds quercetin 3,7-O-α-L-dirhamnoside and rutin might be potential candidates for the development of therapies against SARS-CoV-2.
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