Interaction of Glucagon G-Protein Coupled Receptor with Known Natural Antidiabetic Compounds: Multiscoring In Silico Approach

Table 3

Change is ASA (Ų) of important active site residues of GCGR.

Complexed/uncomplexed	Y145	K187	V191	I194	M231	Q232	I235	L307	V311	E362	V363	F365	L386
4L6R (UC)	32.032	16.624	14.878	11.591	32.642	40.005	25.348	25.793	32.228	35.789	45.668	82.247	48.372
4L6R (complexed with curcumin)	4.39	2.329	0	0.439	9.531	35.199	0.574	11.298	12.427	3.194	45.668	44.311	5.973
4L6R (complexed with 4-hydroxyderricin)	17.71	2.547	0	0.006	0.767	18.509	0	10.332	19.146	7.45	45.668	43.348	15.966
4L6R (complexed with amorfrutin 1)	32.032	1.797	6.628	11.591	9.363	22.045	0	1.915	0.657	0.423	36.381	41.514	28.608