CD Skripsi
Sintesis Dan Studi Molecular Docking Senyawa Pirazolin Dan Pirazol Turunan 3-Bromo Asetofenon Dan 3,4-Dimetoksibenzaldehid Sebagai Inhibitor Enzim Tirosinase
Pyrazoline and pyrazole are heterocyclic compounds containing two nitrogen
atoms and possess bioactivity such as tyrosinase inhibitor, antidiabetic and
anticancer. Pyrazoline and pyrazole derivatives of 3,4-dimethoxybenzaldehyde
and 3-bromoacetophenone were synthesized through one-pot synthesis and
followed by an oxidative aromatization reaction. Pyrazoline compound were
purified by recrystallization and pyrazole compound were purified using column
chromatography. The purity of the target compounds was analyzed by TLC test,
melting point measurement and HPLC. The synthesized compounds were then
structurally confirmed by UV, FTIR, 1H-NMR and HRMS spectroscopy. The
compounds was then tested for its activity as a tyrosinase inhibitor through
molecular docking of the tyrosinase crystal structure (PDB ID: 2Y9X). The
activity of the target compounds was compared with kojic acid as a positive
control. The test results showed that the pyrazoline target compound had a free
bond energy (S score) = -10.2577 kcal/mol while the pyrazole target compound
had a free bond energy (S score) = -10.6895 kcal/mol. When viewed from the
positive control, kojic acid has a bond free energy (S score) = -8.4975 kcal/mol,
the synthesized pyrazoline and pyrazole compounds have the potential as
tyrosinase inhibitor compounds.
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