CD Skripsi
Sintesis, Uji Aktivitas Dan Studi Molecular Docking Senyawa Pirazolin (E)-(5-Benzil-7-(4 Klorobenziliden)-3-(4-Kloropenil) -3,3a,4,5,6,7-Heksahidro-1h-Pirazolo[-4,3-C] Piridin Sebagai Kandidat Antidiabetes
Pyrazoline is a five-ring heterocyclic compound containing two nitrogen atoms
close to each other and has various biological activities, one of which is
antidiabetic. This study aims to synthesize pyrazoline and determine their activity
as antidiabetic. Pyrazoline was synthesized from curcumin through a Claisen-
Schmidt condensation reaction between 1-benzyl-4-piperidone and 4-
chlorobenzaldehyde then a cyclization reaction occurs with hydrazine hydrate and
produces a pyrazoline compound. The pyrazoline compound that have been
successfully synthesized were structurally confirmed by characterization by
spectroscopy UV spectroscopy, FTIR, 1H-NMR and HRMS. Pyrazoline
compounds were tested for their antidiabetic activity through molecular docking
and in vitro studies. Molecular docking studies were carried out on the crystal
structure of human lysosomal α-glucosidase (PDB ID: 5NN5) and compared it
with acarbose as a positive control. The docking results show that the pyrazoline
compound has a bond free energy of (S score) -15,7132 kcal/mol while the free
bond energy of (S score) -16,4969 kcal/mol. The target compound showed
inhibition of α-glucosidase enzyme with IC50 > 250 g/mL, while acarbose
showed inhibition of α-glucosidase enzyme with IC50 of 68.4 g/mL. Pyrazoline
compounds conformed by molecular docking have the same amino acids as
acarbose, namely Asp518, Asp616, Asp282, Phe649. This shows that the target
compound of pyrazolin has less good activity than acarbose which is the positive
control, so it has not been able to inhibit the activity of the α -glucosidase enzyme.
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