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

Table 4

Pharmacokinetic parameters important for bioavailability of compound drug-likeness properties of selected peptides.

Peptides	Target		Molecular properties^†
		MW	HBD	HBA	nrotb	Log		Violations
LIVA	IR	414.54	5	6	12	0.51	111.74	0
TSEP	IR	432.43	7	10	14	-3.21	103.31	1
EKAI	IR	459.54	7	7	16	-1.09	116.22	1
LKHA	IR	467.57	7	7	15	-0.99	121.46	1
EALF	IR	478.55	6	6	14	0.03	123.58	1
VAEK	IR/DPP-IV	445.51	7	7	15	-1.48	111.41	1
DFGAS	IR/SGLT1/DPP-IV	495.48	8	8	15	-3.30	118.13	1
EPGGGG	IR/SGLT1	472.45	7	10	18	-3.34	111.79	1
GDVEC	SGLT1	521.55	9	9	16	-3.11	121.41	2
DDPTG	SGLT1	503.47	8	9	17	-4.19	116.53	2
PTRHM	DPP-IV/GLUT2	640.77	11	10	19	-2.87	165.54	3
RRKKV	DPP-IV/GLUT2	685.88	14	10	26	-3.22	181.62	3
DTDEL	DPP-IV	591.57	10	10	19	-3.42	135.64	3

^†Molecular properties were calculated using SwissADME, an online tool. MW: molecular weight; HBD: number of hydrogen bond donors; HBA: number of hydrogen bond acceptors; nrotb: number of rotatable bonds; Log: the logarithm of octanol/water partition coefficient; : molar refractivity.