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Synthesis, structural characterization and anticancer activity of 3- (3,5-dinitrobenzoyl)-1H-imidazolidine-2-thione

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Title Synthesis, structural characterization and anticancer activity of 3- (3,5-dinitrobenzoyl)-1H-imidazolidine-2-thione
 
Creator Genç, Murat
Keskin, Özlem
Kumbıçak, Zübeyde
Vatan, Özgür
Huriyet, Huzeyfe
Çavaş, Tolga
 
Subject Imidazole
BRCA2
AutodockVina
cytotoxicity
anticancer
MCF-7
 
Description 201-209
The present study describes the synthesis, characterization and in vitro anticancer potential evaluation of a novel
3-(3,5-dinitrobenzoyl)-1H-imidazolidine-2-thione compound. In the first step, structure analysis of the compound has been
elucidated by NMR and FT-IR techniques. Theoretical NMR, FT-IR spectra, HOMO and LUMO orbital energies and MEP
analyses have been used to determine the activity of the molecule by Gaussian 09 package program using DFT techniques.
Furthermore, docking calculations have been performed for the BRCA2 (PDB Code: 3EU7) active side to foresee the
possible mechanism of action of the synthesized compound. In the second step of the study, the synthesized compound has
been screened for its potential in vitro anticancer activity against MCF-7 human breast cancer cell line using the cell
proliferation (XTT), apoptosis, cell cycle arrest and intracellular ROS production assays. The results of XTT test revealed
significant dereases in MCF-7 cell viability with the 24h IC50 value of 7.57 μM. It has been also observed that treatment
with the IC50 concentration of the compound can significantly induce apoptosis, intracellular ROS production and
G2/M phase arrest in MCF-7 cells.
 
Date 2022-02-15T11:46:08Z
2022-02-15T11:46:08Z
2022-02
 
Type Article
 
Identifier 2583-1321 (Online); 0019-5103 (Print)
http://nopr.niscair.res.in/handle/123456789/59188
 
Language en
 
Publisher NIScPR-CSIR, India
 
Source IJC Vol.61(02) [February 2022]