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Research in Pharmaceutical Sciences، جلد ۱۲، شماره ۶، صفحات ۴۴۴-۴۵۵
عنوان فارسی
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عنوان انگلیسی Synthesis, characterization, cytotoxic screening, and density functional theory studies of new derivatives of quinazolin-4(3H)-one Schiff bases
چکیده انگلیسی مقاله A series of novel derivatives of quinazolinone Schiff bases were synthesized from benzoic acid starting material and evaluated for potential cytotoxic activities against the human breast adenocarcinoma (MCF-7) and the human colon adenocarcinoma (HT-29) cell lines. Compared to the reference drug, these compounds showed good cytotoxic activities against studied cell lines especially compounds 4d and 4e . The ground-state geometries of these compounds ( 4a-g) were optimized at the B3LYP/6–31G* density functional theory (DFT) level. Then maximum absorptions electron affinity, ionization potential, electronegativity (χ), energy gap (E gap ), hardness (η), softness (S), electrophilicity (ω), and electrophilicity index (ω i ) were calculated and discussed. The quantitative structure-activity relationship (QSAR) properties including the physicochemical parameters were also evaluated and studied. The computed properties of our novel synthesized compounds were compared with erlotinib compound.
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نویسندگان مقاله رضوان رضایی نسب | rezvan rezaee nasab
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.

سازمان اصلی تایید شده: دانشگاه علوم پزشکی اصفهان (Isfahan university of medical sciences)

فرشید حسن زاده | 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.

سازمان اصلی تایید شده: دانشگاه علوم پزشکی اصفهان (Isfahan university of medical sciences)

قدمعلی خدارحمی | ghadam ali khodarahmi
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.

سازمان اصلی تایید شده: دانشگاه علوم پزشکی اصفهان (Isfahan university of medical sciences)

محمود میرزایی | mahmoud mirzaei
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.

سازمان اصلی تایید شده: دانشگاه علوم پزشکی اصفهان (Isfahan university of medical sciences)

محبوبه رستمی | mahboubeh rostami
2department of pharmaceutical biotechnology and isfahan pharmaceutical sciences research center, school of pharmacy and pharmaceutical sciences, isfahan university of medical sciences, isfahan, i.r. iran.

سازمان اصلی تایید شده: دانشگاه علوم پزشکی اصفهان (Isfahan university of medical sciences)

علی جهانیان نجف آبادی | ali jahanian najaf abadi


نشانی اینترنتی http://rps.mui.ac.ir/index.php/jrps/article/view/1791
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زبان مقاله منتشر شده en
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نوع مقاله منتشر شده Original Article
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