Research Article

Alpha-Glucosidase Inhibition, Antioxidant Activities, and Molecular Docking Study of Krom Luang Chumphon Khet Udomsak, a Thai Traditional Remedy

Table 7

The binding energy and amino acid residues of the α-glucosidase enzyme.

CompoundBinding energy (kcal/mol)H-bond interactionHydrophobic interaction
Number of interactionAmino acid residuesNumber of interactionAmino acid residues

α-D-glucopyranose (co-crystallized ligand)−5.74GLU277a, GLN279, ARG442
Acarbose (standard drug)−8.413LYS156, TYR158, SER241, ASP242a, GLU277, GLN279, HIS280, ARG315, HIS351, ASP352a, ARG442
Pyranone−5.31ASP352
Malic acid−5.43ASP215, GLU277, ARG4421TYR72
Pyrogallic acid−5.97ARG213a, HIS351, ASP352a, ARG442a2PHE178, VAL216
Palmitic acid−6.11ARG4468TYR72, TYR158, PHE159, PHE178a, VAL216, PHE303, ASP352
Ethyl palmitate−5.39TYR158b, PHE159, VAL216, PHE303a, ARG315, ASP352
Linoleic acid−6.52ASP215, ARG4468TYR72, TYR158, PHE178, VAL216, PHE303a, ARG315, ASP352
Linolenic acid−6.83ARG213, ASP352, ARG4468TYR72, TYR158, PHE159, VAL216, PHE303a, ASP352, ARG442
Stearic acid−6.52ASP352, ARG4468TYR72, LYS156, TYR158b, PHE159, PHE178, ARG315
Ethyl oleate−6.01ARG3158TYR72, PHE159, PHE178, VAL216, PHE303a, ARG315, ASP352
Oleamide−6.13SER241, ASP242a7LYS156, TYR158, PHE159, PHE303, PHE314a, ARG315
Campesterin−8.91GLU2775TYR158a, PHE159, PHE303, ARG315

aTwo interaction with amino acid residues. bThree interaction with amino acid residues.