Compounds | Binding affinity (Kcal/mol) | ||||
---|---|---|---|---|---|
PEPCK | α-amylase | β-glucosidase | Fructose-1,6, biphosphatase | ||
R | Metformin | H-bond Thr291, Asp310, Phe333 Non-H-bond Asp310, Asp311 | H-bond Pro332, Gly334, Arg398. Non-H-bond Asp402 | H-bond Gln17, Glu165, Phe225, Tyr309 Non-H-bond Glu373, Trp417, Glu424, Trp425 | H-bond Glu98, Asp118. Leu120, Asp121, Glu280 Non-H-bond Asp74, Glu97, Glu98 |
1 | d-Lyxo-d-manno-nononic-1,4-lactone | H-bond His264, Thr291, Asp311, Val335 | H-bond Arg267, Asn301, Gly309 | H-bond Glu165, Tyr309, Glu345, Glu373, Trp425, Gln427 | H-bond Glu97, Leu120, Ser123, Ser124, Tyr244, Gly246 |
2 | Oleic acid | Non-H-bond Val335, Pro337, Pro398, Pro402 | Non-H-bond Trp59, Tyr62, Ala106, Leu165 | Non-H-bond Val168, Met172, Phe225, Ile332, Tyr309, Trp345, Trp417 | Non-H-bond Leu56, Lys72, Leu73, Ile126 |
3 | Cyclohexane,1,1′-(2-methyl-1,3 propanediyl)bis- | Non-H-bond Trp516, Phe517, Phe525 | Non-H-bond Trp59, Tyr62 | Non-H-bond Val171, Val227, Leu229, His250, Ala246, Phe334, Leu253, Leu327 | Non-H-bond Tyr264, Pro265 |