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 |