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<p>Synthesis, structural characterization and anticancer activity of 3-(3,5-dinitrobenzoyl)-1<em>H</em>-imidazolidine-2-thione</p>

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Title Statement <p>Synthesis, structural characterization and anticancer activity of 3-(3,5-dinitrobenzoyl)-1<em>H</em>-imidazolidine-2-thione</p>
 
Added Entry - Uncontrolled Name Genç, Murat ; Department of Chemistry, Faculty of Arts and Sciences, Adıyaman University, 02040, Adıyaman, Turkey
Keskin, Özlem ; Department of Chemistry, Faculty of Arts and Sciences, Adıyaman University, 02040, Adıyaman, Turkey
Kumbıçak, Zübeyde ; Department of Molecular Biology and Genetics, Faculty of Arts and Sciences, Nevşehir Hacı Bektaş Veli University, 50300, Nevşehir, Turkey
Vatan, Özgür ; Department of Biology, Faculty of Arts and Sciences, Uludag University, 16059, Bursa, Turkey
Huriyet, Huzeyfe ; Department of Biology, Faculty of Arts and Sciences, Uludag University, 16059, Bursa, Turkey
Çavaş, Tolga ; Department of Biology, Faculty of Arts and Sciences, Uludag University, 16059, Bursa, Turkey
 
Uncontrolled Index Term Imidazole, BRCA2, AutodockVina, cytotoxicity, anticancer, MCF-7
 
Summary, etc. <p style="text-align: justify;">The present study describes the synthesis, characterization and <em>in vitro</em> anticancer potential evaluation of a novel 3-(3,5-dinitrobenzoyl)-1<em>H</em>-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 <em>in vitro</em> 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 IC<sub>50</sub> value of 7.57 µM. It has been also observed that treatment with the IC<sub>50</sub> concentration of the compound can significantly induce apoptosis, intracellular ROS production and <br /> G2/M phase arrest in MCF-7 cells.</p>
 
Publication, Distribution, Etc. Indian Journal of Chemistry (IJC)
2022-02-21 00:00:00
 
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http://op.niscair.res.in/index.php/IJC/article/view/60720
 
Data Source Entry Indian Journal of Chemistry (IJC); ##issue.vol## 61, ##issue.no## 2 (2022): Indian Journal of Chemistry-(IJC)
 
Language Note en