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)

19,12-Octadecadienoic acid (Z,Z)-−74.89−72.860.00−2.02
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
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−
12Vitamin E−89.64−89.640.000.00

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

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