Table 1.
Docking interaction energies for the active tyrosinase inhibitory compounds.
| Compd. ID | 2Y9X Energy values (kcal/mol) |
H bond forming residues at 2y9x | pi–pi stacked or edge-face (T-shaped) |
|---|---|---|---|
| NL tropolone | –5.90 | HIS60, VAL217 | |
| CL kojic acid | –5.80 | HIS296, HIS 259, HIS 263, ASN260 | His263 |
| P4 | –6.50 | ASN260 | His263, Ser282 |
| P8 | –6.70 | ASN 260 | His263 |
| P11 | –6.10 | ASN260 | His263, Ser282 |
| P12 | –7.20 | His263, His259, Ser282 | |
| P14 | –6.00 | – | Phe264 |
| P17 | –6.40 | Phe264 | |
| P18 | –6.70 | His244 | |
| P21 | –6.70 | HIS244 | Phe264, His263 |
NL: natural ligand; CL: clinical ligand.