TABLE 2.

Ligands name, 3D structures, SMILE format and the virtual screening outputs.

S. No.	Ligand	3D structure	SMILE format	Binding score (kcal/mol)	H-bond residues
1	Procyanidin B2		C1C(C(OC2=C1C(=CC3 =C2C4C(C(O3)(OC5= CC(=CC(=C45)O)O)C6=CC(=C(C=C6)O)O)O)O)C7=CC(=C(C=C7)O)O)O	−9.3	Ala100, Arg107, Asn143, Gly145, and Arg146
2	Luteolin-7-O-rutinoside		C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)COC5C(C(C(C(O5)CO)O)O)O)O)O)O)O)O)O	−9.1	Asp111, Asn143 and Arg146