Molecular Dynamics Simulation of Ligands from Anredera cordifolia (Binahong) to the Main Protease (M^pro) of SARS-CoV-2

Table 5

Docking scores and MM-GBSA binding free energies.

Ligand	Docking score (kcal/mol)	Bind energy (kcal/mol)
Procyanidin	−9.132	−66.7
Vitexin	−8.433	−53.4
Quercetin (control ligand)	−7.474	−51.69
Methyl linoleic acid	−3.58	−77.65
Oleic acid	−3.092	−63.57