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

Table 1

Docking score and experimental data in terms of binding structure/activity of tyrosinase from mushroom, bacteria, and human.

Inhibitors/substrate	Mushroom tyrosinase		Bacterial tyrosinase		Human tyrosinase
	Binding energy	/	Binding energy	/	Binding energy	/
	(kcal/mol)	(mM)	(kcal/mol)	(mM)	(kcal/mol)	(mM)
	−4.45	0.0074–0.68 [37, 38]	−5.06	—	−6.00	0.50–2.73 [17, 39]
	−4.86	0.0004–0.0017 [40, 41]	−4.30	—	−5.93	—
	−4.63	≥0.02 [17]	−5.16	—	−4.83	≥0.1 [17]
	−4.35	0.04–7.3 [42, 43]	−6.09	—	−4.80	1.43–6.50 [17, 37–44]
	−10.00	0.2 [39]; 0.347 [14]	−11.09	0.075 [20]	−11.66	0.17 [2]
	−10.20	0.17 [45]; 1.44 [14]	−10.05	0.35 [20]	−11.15	0.36 [2]