In Silico Identification of Apigenin and Narcissin (Food-Flavonoids) as Potential Targets Against SARS-CoV-2 Viral Proteins: Comparison with the Effect of Remdesivir
Owona Vincent Brice Ayissi, Galani Borris RT, Moundipa Paul Fewou · Journal of Clinical Anesthesia and Pain Management · 2021
Narcissin, Apigenin and Remdesivir were identified as strong inhibitors of Covid-19 proteins with MolDock scores of: MERS-COV Spike-RBD, PDB: 4KRO (-101.704, -61.069, -15.96), Papain-like protease MERS, PDB: 4P16 (-91.462, -47.314, -43.64), SARS-COV-2 main protease in complex with inhibitor UAW246, PDB: 6XBG (-151.124, -98.20, -150.12) respectively for the three drugs. As far as 7BZ5 (Spike receptor binding domain) and 7BTF (SARS-COV-2-RNA polymerase) proteins are concerned, Remdesivir showed inhibitory effect higher than Narcissin and Apigenin for 7BZ5 (-85.98, -44.78, -60.074), 7BTF (-113.44, -109.32, -93.403) even though the binding affinity towards 7BTF (RNA polymerase) was higher for Narcissin and Apigenin.