Evidence-Based Complementary and Alternative Medicine / 2019 / Article / Tab 4

Research Article

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

Table 4

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

S. noCompound(kcal/mol)
TEVdWHbondElec

1[1,1-Bicyclopropyl]-2-octanoicacid, 2-hexyl-, methyl ester-−71.55−71.550.000.00
21,2,3-Benzenetriol−62.38−47.42−14.960.00
3Ethyl-α-D-glucopyranoside−78.11−55.12−22.990.00
4Hexadecanoic acid, ethyl ester−65.40−60.40−5.000.00
5n-Hexadecanoic acid−65.71−45.93−16.41−3.37
6Oleic acid−71.75−51.69−16.66−3.41
7Phytol acetate−67.32−66.64−0.680.00
8Phytol−64.40−53.90−10.500.00
9Vitamin E−82.91−76.90−6.010.00
109,12-Octadecadienoic acid (Z,Z)-−68.67−59.76−7.33−1.61
119-Oxabicyclo[3.3.1]nonane-2,6-diol−62.20−37.56−24.640.00
1217-Octadecynoic acid−74.92−66.04−9.250.37
13Acarbose−126.81−64.99−61.830.00

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

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