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

Kesharwani et al. Organic and Medicinal Chemistry Letters 2012 2:12   doi:10.1186/2191-2858-2-12