Evaluation of Peppermint Leaf Flavonoids as SARS-CoV-2 Spike Receptor-Binding Domain Attachment Inhibitors to the Human ACE2 Receptor: A Molecular Docking Study

Virtual screening is a computational technique widely used for identifying small molecules which are most likely to bind protein target. In the present work, molecular docking study carried out propose potential candidates preventing RBD/ACE2 attachment. These sixteen different flavonoids in peppermint leaf. Results showed that Luteolin 7-O-neohesperidoside flavonoid with higher binding affinity regarding complex (about -9.18 Kcal/mol). On other hand, Sakuranetin presented lowest -6.38 Binding affinities of ranged from -6.44 Kcal/mol up -9.05 Kcal/mol. The site surface analysis pocket-like regions on yield several interactions (mostly hydrogen bonds) between and amino acid residues proteins. This can open channels understanding roles against COVID-19 infection.