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Table 1 Binding affinity of ligands to phosphoenolpyruvate carboxykinase, α-amylase, β-glucosidase, and fructose-1,6, biphosphatase

From: Evaluation of the inhibitory potentials of selected compounds from Costus spicatus (Jacq.) rhizome towards enzymes associated with insulin resistance in polycystic ovarian syndrome: an in silico study

  Compounds Binding affinity (Kcal/mol)
PEPCK α-amylase β-glucosidase fructose-1,6, biphosphatase
R Metformin −7.3 −7.6 −7.7 −7.4
1 Methyl 6-O-[1-methylpropyl]-beta-d-galactopyranoside 7.1 7.2 7.3 6.8
2 O-Decylhydroxylamine 6.2 5.9 7.1 5.0
3 Acetic acid phenyl ester 6.0 5.5 6.3 5.9
4 Formic acid phenyl ester 5.9 5.4 5.9 5.8
5 d-Lyxo-d-manno-nononic-1,4-lactone −8.3 −7.9 −8.5 −8.6
6 Galacto-heptulose 7.0 7.0 7.6 6.7
7 Palmitoleic acid 6.8 7.5 7.6 6.0
8 Oleic acid −8.1 −7.8 −7.9 −7.7
9 Hexadecanoic acid, methyl ester 6.8 7.0 7.2 6.5
10 9,12-Octadecadienoic acid, methyl ester, (E,E)- 7.0 7.2 6.7 6.5
11 [1,2,4]Triazolo[1,5-a]pyrimidine-6 -carboxylic acid, 4,7-dihydro-7-imino-, ethyl ester 6.7 6.4 6.8 6.7
12 Carbonic acid, but-3-en-1-yl penta decyl ester 7.2 7.1 7.1 7.3
13 Cyclohexane, 1,1′-(2-methyl-1,3 propanediyl)bis- −7.4 −8.1 −8.8 −7.9