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Table 2 Molecular docking results of compound 3f with mushroom tyrosinase (PDB ID: 2Y9X)

From: Design, synthesis, and biological evaluation of symmetrical azine derivatives as novel tyrosinase inhibitors

Compound

Residues

Interaction type

Distance

 

His259

Hydrogen bond

3.07

 

Val283

Hydrogen bond

2.77

 

Val283

Hydrophobic (Pi-Sigma)

3.80

 

His296

Hydrogen bond

2.78

 

Met280

Hydrogen bond

2.80

3f

Gly281

Hydrogen bond

3.74

 

His263

Electrostatic (Pi-Cation)

3.88

 

Arg268

Electrostatic (Pi-Cation)

3.76

 

His263

Hydrophobic (Pi–Pi)

3.97

 

Phe264

Hydrophobic (Pi–Pi)

5.24

 

Ala286

Hydrophobic (Pi-Alkyl)

5.09