Comparative computational research on nanosized molecules of SARS-CoV-2 for validation of a verdant drug molecule

The present study assesses cubebinol from Piper cubeba as a potential antiviral against SARS-CoV-2, comparing its efficacy to remdesivir. Docking studies show that cubebinol binds more effectively to the spike proteins and papain-like protease of SARS-CoV-2, with binding energies of –5.28, –7.46 and –7.39 kcal/mol respectively. Cubebinol demonstrates superior pharmacokinetics, including higher intestinal absorption and blood-brain barrier penetration, with no significant toxicological issues. The results suggest that cubebinol is a promising candidate for treating SARS-CoV-2 and should be further explored for clinical application