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. 2012 Apr 4;2:12. doi: 10.1186/2191-2858-2-12

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