کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
10595110 981858 2013 10 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
The discovery of inhibitors of Fas-mediated cell death pathway using the combined computational method
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی آلی
پیش نمایش صفحه اول مقاله
The discovery of inhibitors of Fas-mediated cell death pathway using the combined computational method
چکیده انگلیسی
In this study, pharmacophore and 3D-QSAR models were developed for analogues of 3-substituted-benzofuran-2-carboxylate as inhibitors of Fas-mediated cell death pathways. Our pharmacophore model has good correspondence with experimental results and can explain the variance in biological activities coherently with respect to the structure of the data set compounds. The predictive power for our synthesized compounds were 0.96 for the pharmacophore model, 0.58 for the comparative molecular field analysis (CoMFA) model, and 0.57 for the comparative molecular similarity analysis (CoMSIA) model.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Bioorganic & Medicinal Chemistry Letters - Volume 23, Issue 18, 15 September 2013, Pages 5155-5164
نویسندگان
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