Abstract:
Chalcones are composed of two benzene rings connected by a carbon α,β-unsaturated
carbonyl structure and has various bioactivity, such as antibacterial, anticancer,
antioxidant and inhibitor tyrosinase. For the further development of chalcone
compounds, this research has carried out the synthesis of chalcone derivatives and the
determination of their activity as a tyrosinase inhibitor through the in silico (molecular
docking) approach. This chalcone derivative was synthesized by Claisen-Schmidt
condensation between benzaldehyde and 3- hydroxy acetophenone. The chalcone
compound was reacted with 1,4-dibromobutane and followed by a substitution reaction
of the bromo with the pyrolidine. The structure of synthesized compounds were
confirmed by spectroscopy analysis of UV and FTIR. Molecular docking studies were
carried out on the crystal structure of tyrosinase (PDB ID: 2Y9X) and kojic acid as
positive control. This target compound shows the free energy binding of -13.6379 kcal /
mol, while kojic acid -8.3470 kcal/mol. The lower free energy binding value, the better
compound were used in inhibiting of tyrosinase enzyme. Thus, it can be seen that the
target compound is thought to be potential candidates for tyrosinase inhibitors.
