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. 2019 Jul 29;9(40):23302–23315. doi: 10.1039/c9ra02864a

Binding parameters of selected natural polyphenols with PDK3.

S. No. Compound Chemical structure ΔGa (kcal mol−1) Binding affinityb (Ka) M−1
1. Ellagic acid graphic file with name c9ra02864a-u1.jpg −7.9 2.68 × 108
2. Capsaicin graphic file with name c9ra02864a-u2.jpg −6.6 3.69 × 106
3. Ursolic acid graphic file with name c9ra02864a-u3.jpg −7.6 5.67 × 105
4. Limonin graphic file with name c9ra02864a-u4.jpg −7.7 3.16 × 107
5. Vanillin graphic file with name c9ra02864a-u5.jpg −6.0 1.78 × 105
6. Citral graphic file with name c9ra02864a-u6.jpg −6.6 5.66 × 106
7. dl-α-Tocopherol acetate graphic file with name c9ra02864a-u7.jpg −7.4 4.32 × 106
8. Simvastatin graphic file with name c9ra02864a-u8.jpg −7.2 3.86 × 105
a

Free energy calculated from docking analysis.

b

Binding affinity (Ka) calculated from fluorescence analysis.