Molecular docking studies on arbutin analogues as inhibitors of tyrosinase enzyme Études d’amarrage moléculaire sur les analogues d’arbutine en tant qu’inhibiteurs de l’enzyme tyrosinase

The results of molecular docking studies revealed that some analogues of arbutin have higher Moldock score (in terms of negative energy) than arbutin and the experimentally known inhibitors of tyrosinase, and showed favourable molecular interactions exhibiting common molecular interaction with Met280, His85, His61 and Asn260 residues of tyrosinase. Furthermore, the top docked compounds used in this work do not violate the Lipinsky rule of five.