Table 1.
Comparative docking simulation result of selected polyphenols, NADPH and beta-NADH with Human NADH-cytochrome b5 reductase together with FAD, ligand from X-ray Crystallized data of protein data bank (1umk.pdb) using MVD
| Serial Number | Ligands | MoleDockScore | H-bonding energy |
|---|---|---|---|
| 1. | FAD | -232.638 | -20.532 |
| 2. | NADPH | -209.954 | -13.985 |
| 3. | beta-NADH | -208.235 | -13.506 |
| 4. | EGCG | -131.595 | -9.012 |
| 5. | Quercetin | -113.611 | -10.033 |
| 6. | Catechin | -110.472 | -9.063 |
| 7. | Epicatechin | -102.952 | -14.638 |
| 8. | Resveratrol | -102.074 | -10.272 |