Table 2.
The comparison of interaction site found in docked (in parentheses) and MD structures.
| Inhibitors | Mushroom tyrosinase | Bacterial tyrosinase | Human tyrosinase | |||
|---|---|---|---|---|---|---|
| H bonding | Pi interaction | H bonding | Pi interaction | H bonding | Pi interaction | |
| Kojic acid | 1:M280 (1:M280) |
H263 (H263) |
— (1:H60) |
H208 (H208) |
— (1:N249 2:S265) |
H252 (H252) |
|
| ||||||
| Tropolone | — (3:N260) |
H263 (H263) |
— (—) |
H60 (H208) |
— (2:S265) |
— (H252) |
|
| ||||||
| Ascorbic acid | 1:N81 1:H85 1:A323 (2:N81 4:H85 1:A323) |
— (—) |
2:E195 (2:H60 2:N205) |
— (—) |
1:E230 2:S265 (1:Q261 1:V262 2:S265) |
— (—) |
|
| ||||||
| Arbutin | 1:N60 (1:N260 1:G281 1:V283) |
H263 (H263) |
— (1:N205 1:V218) |
H208 (H208) |
1:S245 1:N249 1:V262 (2:E88 1:S245 1:N249 1:S265) |
H252 (H252) |