New Potential Inhibitors of Coronaviral Main Protease (CoV-Mpro): Strychnine Bush, Pineapple, and Ginger could be Natural Enemies of COVID-۱۹

This current research aims to find candidate anti-COVID-۱۹ compounds from the natural herbal sources, mainly, strychnine bush (Strychnos lucida), pineapple (Ananas comosus), and ginger (Zingiber officinale) to act as efficient blockers of the coronaviral-۲ main protease (Mpro) receptor based on computational molecular docking modeling evaluation. The docking protocol was carried out using mainly N۳ comparison utilizing four known potential anti-COVID-۱۹ drugs, favipiravir/GS-۴۴۱۵۲۴/remdesivir/hydroxychloroquine, as positive controls. The docking results frankly show that the compounds ananas ۲۶/zingiberenol/zingiberol have higher inhibitory binding affinities compared to the native ligand N۳ and the other tested ingredients/references. Ananas ۲۶ compound has the strongest hydrogen bonds with the coronaviral-۲ Mpro active amino acid residues. Potential candidate compounds as COVID-۱۹ Mpro inhibitors, ananas ۲۶ from pineapple and zingiberenol as well as zingiberol from ginger, can further be subjected to potential inhibitor assays and in vitro/in vivo tests for evaluating and proving their biological activities against SARS-CoV-۲ and COVID-۱۹.

Keywords:

Anti-COVID-۱۹ Drug , SARS-CoV-۲/Coronavirus/Coronaviral-۲ , Main Protease (Mpro) , Ananas ۲۶ , Zingiberenol/Zingiberol