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. 2022 Sep 14;27(18):5990. doi: 10.3390/molecules27185990

Table 4.

The binding affinity of ligands and tyrosinase enzyme.

Compound Name Binding Energy (kcal/mol) Interacting Ligands at Binding Site of Enzyme
Bonding Type Binding Amino Acid
Kojic acid −5.4 Hydrogen bonding
Pi-Pi stacked
Pi-Sigma
His60
His208
Val218
γ-tocopherol −6.6 Hydrogen bonding
Alkyl
Arg209, Gly213
Lys150, Val217
Campesterol −6.5 Alkyl Ala155
Phytol −4.7 Alkyl Lys150, Val217
Myristic acid −4.5 Hydrogen bonding
Alkyl
Arg280, Glu289,
Arg165, Val168, Ley169, Ile237,
Val240, Ile243,
Ile288