Table 3.

Protein, ligand, hydrogen bond and binding energy in molecular docking

Protein	PDB ID	Compounds	H-bond	Binding energy/(kJ∙mol-1)
AKT1	3O96	Neomangiferin	GLU-85, ARG-273, THR-82, ASP-292, ILE-290, THR-211	-10.7
AKT1	3O96	Calycosin 7-O-glucoside	SER-205, LYS-268, ARG-273, CYS-296, GLU-298	-10.7
EGFR	7KXZ	Neomangiferin	ARG-841, ASN-842, LYS-745, PRO-794	-9.1
EGFR	7KXZ	Luteolin	MET-793, LYS-745	-8.7

Note: AKT1, serine/threonine protein kinase 1; EGFR, epidermal growth factor receptor; GLU, glutamic acid; ARG, arginine; THR, threonine; ASP, aspartic acid; ILE, isoleucine; SER, serine; LYS, lysine; CYS, cysteine; ASN, asparagine; PRO, proline; MET, methionine.