Table 2.
Comparative docking simulation result of selected polyphenols, FAD, NADPH and beta-NADH with Human NADH-cytochrome b5 reductase using Glide docking simulation software
| Serial number | Ligands | GScore | Lipophilic EvdW | HBond | Electro |
|---|---|---|---|---|---|
| 1 | FAD | -12.18 | -5.07 | -2.14 | -0.71 |
| 2 | NADPH | -10.86 | -4.45 | -2.13 | -0.68 |
| 3 | beta-NADH | -10.48 | -4.43 | -1.72 | -0.79 |
| 4 | EGCG | -9.10 | -4.13 | -1.33 | -0.51 |
| 5 | Catechin | -7.83 | -4.41 | -1.75 | -0.95 |
| 6 | Quercetin | -7.82 | -4.19 | -1.58 | -0.94 |
| 7 | Epicatechin | -7.57 | -3.12 | -1.33 | -1.07 |
| 8 | Resveratrol | -4.29 | -3.8 | -1.5 | -0.54 |
Where GScore: It is GlideScore called as Docking Score
LipophilicEvdW: It is term derived from hydrophobic grid potential and fraction of the total protein-ligand Van der Waals energy; HBond: Hydrogen-bonding term.
Electro: This term represents Electrostatic rewards