Table 4

Human NADH-cytochrome b5 reductase protein residues interact with selected polyphenols, NADPH, beta-NADH using Glide docking simulation software (highlighted residues are H-bonding interacting residues) and FAD from X-ray Crystallized data of protein data bank

S. No.

ligands

Interacting residues of receptor Human NADH-cytochrome b5 reductase

No. of H-bond interaction

1.

FAD

Arg91, Pro92, Tyr93, Thr94, Val108, Ile109, Lys110, Phe113, Phe120, Gly123, Gly124, Lys125, Met126, Ser127, Gly179, Gly180, Thr181, Thr184

17

2.

NADPH

Thr94, Lys110, Try112, His117, Gly179, Gly180, Thr181, Thr184, Gln210, Cys273, Pro275

8

3.

beta-NADH

Tyr93, Lys110, Tyr112, Gly179, Gly180, Thr181, Gln210, Asp239, Phe251, Val252, Pro275

8

4.

EGCG

His117, Asn209, Gln210, Asp239, Phe251, Met278

4

5.

Catechin

Lys110, Tyr112, Gly180, Ala208, Asn209, Gln210, Phe251, Val252, Pro275

6

6.

Quarcetin

Lys110, Tyr112, Ala208, Asn209, Asp239, Phe251

4

7.

Epicatechin

Lys110, Tyr112, Gly180, Ala208, Gln210, Asp239, Phe251, Val252, Pro275

7

8.

Reserveratrol

Lys110, Tyr112, Ala208, Gln210, Phe251, Val252

3

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