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Research in Pharmaceutical Sciences، جلد ۱۵، شماره ۵، صفحات ۴۵۴-۴۶۲
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عنوان انگلیسی Synthesis, cytotoxic evaluation, and molecular docking studies of some new 1, 3, 4-oxadiazole-based compounds
چکیده انگلیسی مقاله Background and purpose: Oxadiazole-derived compounds have been shown to have a wide range of pharmacological activities. 2, 5-Disubstituted 1, 3, 4-oxadiazole derivatives have occupied a specific place in the design of anti-proliferative agents. In the present work a series of 2, 5-disubstituted 1, 3, 4-oxadiazoles derivatives containing amide group has been synthesized via a two-step reaction. Experimental approach: A mixture of substituted carboxylic acid derivatives, semicarbazide, and phosphorus oxychloride in reflux condition yielded 2-amino-5-aryl-1, 3, 4-oxadiazole derivatives. Acylation of the amino group of the resultant oxadiazole with 6-chloronicotinoyl chloride in dry tetrahydrofuran/pyridine afforded the final products. The synthesized molecules were docked in the active sites of the epidermal growth factor receptor tyrosine kinase domain (PDB: 1M17) crystal structure to study the possible interactions with the active site. Cytotoxic activities of final products against HeLa and MCF-7 cells were also assessed by MTT assay. Findings/Results: Compounds IIb, IIc, and IIe had a considerable cytotoxic activity with IC 50 values of 19.9, 35, and 25.1 µM, respectively against HeLa cells. The highest docking score was -7.89 kcal/mol for compound IIe . Conclusion and implications: Compound IIe exhibited remarkable cytotoxic activity against the two tested cell lines particularly HeLa cells which was in accordance with the in silico ΔG bind result but further evaluations are necessary to prove these findings.
کلیدواژه‌های انگلیسی مقاله Cytotoxicity,Molecular docking,Nicothionyl,Oxadiazole.
نویسندگان مقاله | Farshid Hassanzadeh
1Department of Medicinal Chemistry and Isfahan Pharmaceutical Sciences Research Center, School of Pharmacy and Pharmaceutical Sciences, Isfahan University of Medical Sciences, Isfahan, I.R. Iran.


| Elham Jafari
1Department of Medicinal Chemistry and Isfahan Pharmaceutical Sciences Research Center, School of Pharmacy and Pharmaceutical Sciences, Isfahan University of Medical Sciences, Isfahan, I.R. Iran.


| Mohammadreza Zarabi
1Department of Medicinal Chemistry and Isfahan Pharmaceutical Sciences Research Center, School of Pharmacy and Pharmaceutical Sciences, Isfahan University of Medical Sciences, Isfahan, I.R. Iran.


| Ghadamali Khodarahmi
2Applied Physiology Research Center and Isfahan Cardiovascular Research Center, Cardiovascular Research Institute, Isfahan University of Medical Sciences, Isfahan, I.R. Iran.


| Golnaz Vaseghi


نشانی اینترنتی http://rps.mui.ac.ir/index.php/jrps/article/view/2019
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نوع مقاله منتشر شده Original Article
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