Interaction between Dihydromyricetin and Spike Glycoprotein SARS-COV-2 and its Delta and Omicron variants - a molecular docking study

The SARS-CoV-2 virus has been responsible for a global pandemic which caused millions of deaths. Still, novel antiviral agents have investigated against SARS-CoV-2. In this view, molecular docking simulations could be used evaluating possible to tested in further experimental runs. Hence, the aim research was evaluate interaction dihydromyricetin DHM Spike glycoproteins pristine and its Delta Omicron variants through simulations. To validate such results, same protocol applied control structure (galangin, major component propolis extract) already able interact with spike glycoprotein both silico vitro. Regarding DHM/Spike glycoprotein, presented higher spontaneity binding (∆G = -8.9 kcal.mol-1) -7.4 than -5.7 kcal.mol-1). Furthermore, DHM/spike interactions similarity galangin/spike (based on aminoacid residues involved polar/non-polar contacts), indicating that galangin bind similarly vitro standpoint. Thus, it is suggested may as potential agent