کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1393513 1501220 2007 9 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
QSAR analysis of 1,4-dihydro-4-oxo-1-(2-thiazolyl)-1,8-naphthyridines with anticancer activity
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی آلی
پیش نمایش صفحه اول مقاله
QSAR analysis of 1,4-dihydro-4-oxo-1-(2-thiazolyl)-1,8-naphthyridines with anticancer activity
چکیده انگلیسی

In the present study a quantitative structure activity relationship (QSAR) analysis was applied to a series of 100 of 7- and 3-substituted 1,4-dihydro-4-oxo-1-(2-thiazolyl)-1,8-naphthyridine derivatives. The Chem-X (version 2000) software was used to develop 3D QSAR models. The steric and electrostatic interactions between a probe atom (H+) and a set of aligned molecules were assessed using the comparative molecular field analysis method. Statistically relevant models were derived for both electrostatic and steric fields. A 2D model over a restricted series of close structural analogs was derived as well. A number of conclusions on the relationship between the type and size of different substituents and the antitumor activity of the compounds were derived.

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ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: European Journal of Medicinal Chemistry - Volume 42, Issue 9, September 2007, Pages 1184–1192
نویسندگان
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