Targeting COVID-19 through active phytochemicals of betel plant by molecular docking

Abstract

COVID-19 has reached pandemic proportions and is affecting people all across the world. Coronavirus 2 is responsible for causing severe acute respiratory syndrome. The Piper betle L. leaf, sometimes known as betel, has been used medicinally for centuries. The primary purpose of this docking study is to check the efficacy of the phytochemicals of Betel leaf (Piper betle) against COVID-19. Traditionally, it is used as a medicinal plant containing many bioactive constituents, which can be used to develop a drug for COVID-19. We have used molecular docking for the SARS-CoV2 receptor on a complex antibody protein with PDB ID-7BNV and PDB ID-7CM4. Betel leaf (Piper betle) contains various phytochemicals such as Eugenol, Alpha pinene, Alpha terpinene, Beta phellandrene, Terpinolene, Sabinene, Hydroxychavicol, Germacrene D, etc. All this data is collected from the PubChem database. All evaluations were carried out based on molecular docking of docking score of receptor interaction with the ligand. Using ligands, we were able to effectively molecular dock Betel leaf (Piper betle) phytochemicals on the SARS-CoV2 target (Eugenol, Alpha pinene, Alpha terpinene, Beta phellandrene, Terpinolene, Sabinene, Hydroxychavicol, Germacrene D). Based on molecular docking scores, we concluded that all the ligands showed significant activity for both the proteins of SARS-CoV2.