In silico pharmacokinetic and molecular docking of Ganoderma applanatum wild mushroom derived main protease inhibitors compounds as an effective agent against SARS-CoV-2

The urgent need for an effective treatments against SARS-CoV-2 has prompted researchers to explore various avenues, including investigating natural compounds with potential antiviral properties. This current study focuses on the compounds from Ganoderma applanatum as a main protease inhibitors through in silico investigations. G. applanatum is a medicinal fungus renowned for its diverse bioactive compounds identified through GC-MS analysis. GC-MS analysis found nine compounds and we determined their physicochemical properties based on their Lipinski rule. Among these top drug candidates identified as Di cyclohexyl phthalate (PubChem ID: 6777), the bioavailability score is 0.55, and it has the best pharmacokinetic properties. In addition, molecular docking studies revealed significant binding affinities (-8.4 Kcal/mol) between Di cyclohexyl phthalate and the target protein (6LU7), providing insights into their potential efficacy as a therapeutic agent. Overall, this study gives a cue for the enhancement potential of G. applanatum as a source of antiviral compounds against SARS-CoV-2.