Evidence-Based Complementary and Alternative Medicine / 2019 / Article / Tab 5

Research Article

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. noCompound(kcal/mol)
TEVdWHbondElec

19,12-Octadecadienoic acid (Z,Z)-−74.89−72.860.00−2.02
29-Oxabicyclo[3.3.1]nonane-2,6-diol−65.03−46.52−18.510.00
317-Octadecynoic acid−71.74−69.29−1.90−0.56
4[1,1-Bicyclopropyl]-2-octanoicacid, 2-hexyl, methyl ester−66.96−64.46−2.500.00
51,2,3-Benzenetriol−70.52−46.14−24.380.00
6Ethyl-α-D-glucopyranoside−79.92−53.16−26.760.00
7Hexadecanoic acid, ethyl ester−69.78−60.29−9.490.00
8n-Hexadecanoic acid−81.89−70.45−11.440.00
9Oleic acid−76.72−62.87−13.840.00
10Phytol acetate−70.23−70.230.000.00
11Phytol−80.87−72.93−7.950.00
12Vitamin E−89.64−89.640.000.00
13Acarbose−115.55−78.78−36.770.00

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

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