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. 2013 Dec 21;2013:649759. doi: 10.1155/2013/649759

Table 1.

Comparative docking simulation result of selected polyphenols with Human NADH-cytochrome b5 reductase together with FAD, ligand from X-ray crystallized data of protein data bank (1 umk·pdb) using Molegro Virtual Docker (MVD) [25].

Serial number Ligands MoleDock Score H-bonding energy
1 FAD −232.638 −20.532
2 NADPH −209.954 −13.985
3 beta-NADH −208.235 −13.506
4 Theaflavin −153.946 −13.580
5 EGCG −131.595 −9.012
6 Quercetin −113.611 −10.033
7 Catechin −110.472 −9.063
8 Epicatechin −102.952 −14.638
9 Resveratrol −102.074 −10.272