Estimation of Inhibitory Effect against Tyrosinase Activity through Homology Modeling and Molecular Docking

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)