GC-MS Analysis and Inhibitory Evaluation of Terminalia catappa Leaf Extracts on Major Enzymes Linked to Diabetes

Table 5

Virtual screening results of identified ligand on α-glucosidase using iGEMDOCK.

S. no	Compound	(kcal/mol)
		TE	VdW	Hbond	Elec
1	9,12-Octadecadienoic acid (Z,Z)-	−74.89	−72.86	0.00	−2.02
2	9-Oxabicyclo[3.3.1]nonane-2,6-diol	−65.03	−46.52	−18.51	0.00
3	17-Octadecynoic acid	−71.74	−69.29	−1.90	−0.56
4	[1,1-Bicyclopropyl]-2-octanoicacid, 2-hexyl, methyl ester	−66.96	−64.46	−2.50	0.00
5	1,2,3-Benzenetriol	−70.52	−46.14	−24.38	0.00
6	Ethyl-α-D-glucopyranoside	−79.92	−53.16	−26.76	0.00
7	Hexadecanoic acid, ethyl ester	−69.78	−60.29	−9.49	0.00
8	n-Hexadecanoic acid	−81.89	−70.45	−11.44	0.00
9	Oleic acid	−76.72	−62.87	−13.84	0.00
10	Phytol acetate	−70.23	−70.23	0.00	0.00
11	Phytol	−80.87	−72.93	−7.95	0.00
12	Vitamin E	−89.64	−89.64	0.00	0.00
13	Acarbose	−115.55	−78.78	−36.77	0.00

TE: total energy; VdW: van der Waals bond; Hbond: hydrogen bond; Elec: electrostatic bond.