Molecular Docking and Simulation Studies of Antidiabetic Agents Devised from Hypoglycemic Polypeptide-P of Momordica charantia

Table 3

Net MM-GBSA binding free energy decomposition into residues of the receptors. The values are provided in kcal/mol.

Residue	LIVA-Insulin	Residue	DFGAS-SGLT1
Gln1004	-2.54	Ala62	-1.51
Gly1005	-1..85	Ala63	0.47
Ser1006	1.58	Asn64	1.47
Phe1007	-1.64	Ile65	1.02
Lys1085	-1.36	Ser66	-2.48
Ser1086	-1.00	Gly68	-1.35
Asp1083	-3.45	Tyr138	-1.23
His1130	0.25	Tyr176	-1.00
Asp1132	-0.89	Val185	-1.85
Arg1136	-1.65	Asp189	-2.58
Asn1137	0.05	Tyr263	-1.55
Met1139	1.63	Asn267	-1.27
Asp1150	-2.54	Gln268	-1.20
Phe1151	-1.02	Tyr269	-2.04
Gly1152	-1.50	Ile270	-0.87
Met1153	-2.54	Thr274	0.68
		Ser365	0.12
		Ser364	-1.08
		Ala367	-1.36
		Met369	-1.54
		Asn371	1.02