@article { author = {Rabie, Amgad}, title = {New Potential Inhibitors of Coronaviral Main Protease (CoV-Mpro): Strychnine Bush, Pineapple, and Ginger could be Natural Enemies of COVID-19}, journal = {International Journal of New Chemistry}, volume = {9}, number = {3}, pages = {225-237}, year = {2022}, publisher = {Iranian Chemical Science and Technologies Association}, issn = {2645-7237}, eissn = {2383-188X}, doi = {10.22034/ijnc.2022.3.10}, abstract = {This current research aims to find candidate anti-COVID-19 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-2 main protease (Mpro) receptor based on computational molecular docking modeling evaluation. The docking protocol was carried out using mainly N3 comparison utilizing four known potential anti-COVID-19 drugs, favipiravir/GS-441524/remdesivir/hydroxychloroquine, as positive controls. The docking results frankly show that the compounds ananas 26/zingiberenol/zingiberol have higher inhibitory binding affinities compared to the native ligand N3 and the other tested ingredients/references. Ananas 26 compound has the strongest hydrogen bonds with the coronaviral-2 Mpro active amino acid residues. Potential candidate compounds as COVID-19 Mpro inhibitors, ananas 26 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-2 and COVID-19.}, keywords = {Anti-COVID-19 Drug,SARS-CoV-2/Coronavirus/Coronaviral-2,Main Protease (Mpro),Ananas 26,Zingiberenol/Zingiberol}, url = {https://www.ijnc.ir/article_247391.html}, eprint = {https://www.ijnc.ir/article_247391_ccb98b0c7e358490d93275594b7bbbfd.pdf} }