CD Skripsi
Sintesis Dan Studi Molecular Docking Senyawa Pirazolin Dan Pirazol Turunan 2-Hidroksiasetofenon Dan 2-Klorobenzaldehid Sebagai Inhibitor Enzim Tirosinase
The hyperpigmentation caused by melanin production excessive on the skin. So
the prevention of hyperpigmentation can be done through the use of a cream
containing an inhibitor of tyrosinase. One of the compounds that have activity as
inhibitors of the enzyme tyrosinase is pirazolin and pirazol. Pyrazoline and
pyrazole are heterocyclic compounds containing two nitrogen atoms, that have
various activities such as antimicrobial, anticancer, antidiabetic, antiinflammatory
and tyrosinase inhibitors. Pyrazoline and pyrazole derivatives of
2-hydroxyacetophenone and 2-chlorobenzaldehyde were synthesized through
pyrazoline cyclization synthesis and followed by an oxidative aromatization
reaction. The structure of the synthesized compounds were confirmed through
spectroscopic analysis of UV, FTIR, 1H-NMR and HRMS. The yield obtained
from the synthesis of pyrazoline and pyrazole compound were 65,39 % and 26,08
%. Pyrazoline and pyrazole compounds were tested for their activity as a
tyrosinase inhibitor through molecular docking studies. Molecular docking studies
were carried out on the crystal structure of tyrosinase (PDB ID: 2Y9X) with
natural ligands tropolone and kojic acid as positive controls. The docking results
show that the pyrazoline compound has a free bond energy (S score) = -10,53
kcal/mol and the pyrazole compound has a bond free energy (S score) = -9,52
kcal/mol while the free bond energy for kojic acid as a positive control = -8,86
kcal/mol. This indicates that the target compounds of pyrazoline and pyrazole are
predicted to be potential tyrosinase enzyme inhibitors.
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