SINTESIS DAN MOLECULAR DOCKING SENYAWA PIRAZOLIN (E)-7-(3- BROMOBENZILIDEN)-3(3-BROMOFENIL)-3,3a,4,5,6,7-HEKSAHIDRO-2HPIRAZOLO[ 4,3-c]PIRIDIN-2-KARBOTIOAMIDA SEBAGAI KANDIDAT ANTIDIABETES
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Date
2021-12
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Elfitra
Abstract
Pyrazolin is a dihydropyrazole derivative which is an azole group compound with a 5-heterocyclic
structure containing 2 nitrogen atoms. Pyrazoline is known to have several bioactivities, one of
which is antidiabetic. Pyrazoline (E)-7-(3-bromobenzyliden)-3-(3-bromophenyl)-3,3a,4,5,6,7-
hexahydro-2H-pyrazolo[4,3-c]pyridine-2- Carbotioamides are synthesized from bromosubstituted
curcumin and thiosemicarbazide through the Claisent-Schmidt condensation reaction.
The structure of the synthesized compound was confirmed by characterization using UV, FTIR,
1H-NMR and HRMS spectroscopy. Pyrazoline 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 activity of the pyrazoline PL-3Br-PN is classified as weak in inhibiting the
α-glucosidase enzyme, which is 10.876% and confirmed by molecular docking studies that it only
has one hydrogen bond interaction in common with acarbose, namely the amino acid His674 and
a large bond free energy of -15,5423 kcal/mol compared to acarbose which is -21,3876 kcal/mol.
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Keywords
antidiabetic, docking, pyrazoline
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