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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

From: Plant polyphenols as electron donors for erythrocyte plasma membrane redox system: validation through in silico approach

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
  1. Where GScore: It is GlideScore called as Docking Score
  2. LipophilicEvdW: It is term derived from hydrophobic grid potential and fraction of the total protein-ligand Van der Waals energy; HBond: Hydrogen-bonding term.
  3. Electro: This term represents Electrostatic rewards