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