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

Table 1

Property profile of selected peptides against five selected receptor proteins.

Sr. No.	Peptide	Receptor	S-score	RMSD	Interacting amino acids
1	KDDGHL	IR	-18.56	2.75	Ser1270, Asp1143, Glu1108, Glu1115, His1057
2	EPGGGG	IR	-16.71	1.85	Arg B1026. Glu A186, Asp B1343, His B1057, Lys B1147, Ala B1050, Ser A187
3	TSEP	IR	-15.66	1.21	Asp1143, Thr1145, Glu1115, Arg1101, Glu1108
4	VAEK	IR	-15.53	2.29	Glu1115, His1058, Ser1270, Asp1143, Phe1144, Glu1108
5	LIVA	IR	-14.00	1.73	Thr A178, His B1057, Cys B1056, Val B1059, Glu B1077, Lys B1147
6	ESIRD	SGLT1	-23.81	2.86	Thr431, ser368, Gln428, Asn142, Ser364, Ser66, Lys294, Gln69, Glu88
7	DSRHR	SGLT1	-23.64	2.46	Thr431, Ser368. Gln428. Ser91, Lys294, Ser365, Gln268, Asn267, Asn64, Ser66
8	RRKKV	SGLT1	-20.64	2.92	Thr431, Asn260, Asn267, Tyr263, Asn64, Ser435
9	PTRHM	SGLT1	-19.60	1.83	Tyr263, Gln68, Ala63, Ser365
10	DFGAS	SGLT1	-9.3259	1.5980	Asp189, Tyr176
11	PTRHM	DPP-IV	-10.1067	2.5395	Gln268, Thr375, Asn371
12	RRKKV	DPP-IV	-9.9189	1.7598	Val185, Asn267, Tyr269
13	KDDGHL	DPP-IV	-9.4991	1.4528	Ser368, Asn267, Val185
14	RSIHEP	DPP-IV	-9.0877	1.7136	Asn371, Val185
15	VAEK	DPP-IV	-8.1677	2.3228	Ser59, Ala63, Ser368
16	RRKKV	GLUT2	-10.5970	1.3552	Met174, Glu361, Arg432
17	RSIHEP	GLUT2	-10.5171	2.4307	Met174, Glu361
18	ERFDSG	GLUT2	-9.6986	1.7398	Gln429, Phe421
19	KDDGHL	GLUT2	-9.5645	1.5598	Glu282
20	PTRHM	GLUT2	-9.2187	1.4949	Arg432