Synthesis, antiproliferative activity and molecular docking studies of 1, 3, 5-triaryl pyrazole compound as estrogen α receptor inhibitor targeting MCF-7 cells line
- Jurnal Internasional Bereputasi
- Noval Herfindo, Riska Prasetiawati, Daniel Sialagan, Neni Frimayanti, Adel Zamri
- Molekul, Vol. 15. No. 1, March 2020: Halaman 18 – 25 P-ISSN: 1907-9761 E-ISSN: 2501-0310
Abstrak
ABSTRACT. This research has been successfully synthesized three compounds of 1,3,5-triaryl pyrazole derivatives by two
steps reaction. Firstly, pyrazoline (4a-c) compound was obtained by one-pot reaction of aromatic ketones, aldehyde and
hydrazine in basic condition. Then, pyrazole (5a-c) compound was obtained by oxidative aromatization of compound 4 in
the presense of acetic acid. Chemical structure of predicted molecules was confirmed by FTIR, NMR and HRMS spectroscopy
data analysis. Antiproliferative activity of compound 5a-c were evaluated by in vitro assay against MCF-7 cells line and
molecular docking simulation against ERα (PDB ID: 3ERT) using MOE 2019. Biological evaluation result showed that pyrazole
compounds had weak antiproliferative activity against MCF-7 cells with IC50 were > 1000 µM, whereas the docking studies
agrees the result.
Keywords: 1,3,5-triaryl pyrazole, antiproliferative, docking, ERα, MCF-7
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