Fig. 6.

Prediction of the binding potential of Scutifoliamide-A towards the prioritized molecular targets of SARS-CoV by molecular docking visualized in MGL tools of AutoDock. The figure displayed the binding pocket of the ligand-receptor complex. The interacting residues and the ligands are displayed in stick figures. The interacting residues and binding energy are labeled (a) Binding of the ligand and post-fusion conformation of spike glycoprotein (binding energy: −6.4 kcal/mol) (b) Binding of the ligand and open state spike glycoprotein (binding energy: −6.6 kcal/mol) (c) Binding of the ligand and closed state spike glycoprotein (binding energy −5.4 kcal/mol) (d) Binding of the ligand and replicase polyprotein 1 ab (binding energy: −6.9 kcal/mol) (e) Binding of the ligand and receptor binding domain of membrane protein (binding energy: −5.9 kcal/mol) (f) Binding of the ligand and membrane protein (binding energy: −0.7 kcal/mol) (g) Binding of the ligand and small envelope protein (binding energy: −0.8 kcal/mol) (h) Binding of the ligand and replicase polyprotein 1a (binding energy: −6.8 kcal/mol) (i) Binding of the ligand and protein3a (binding energy: −5.4 kcal/mol) (j) Binding of the ligand and protein7a (binding energy: −5.6 kcal/mol) (k) Binding of the ligand and protein 9b (binding energy: −4.4 kcal/mol) (l) Binding of the ligand and non-structural protein7 (binding energy: −5.9 kcal/mol) (m) Binding of the ligand and non-structural protein 8 (binding energy: −6.0 kcal/mol) (n) Binding of the ligand and non-structural protein12 (binding energy: −6.1 kcal/mol) (o) Binding of the ligand and non-structural protein 6 (binding energy: −5.5 kcal/mol) (p) Binding of the ligand and non-structural protein 10 (binding energy: −5.6 kcal/mol).