کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
2029074 1070472 2006 12 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Three-dimensional models of non-steroidal ligands: A comparative molecular field analysis
موضوعات مرتبط
علوم زیستی و بیوفناوری بیوشیمی، ژنتیک و زیست شناسی مولکولی زیست شیمی
پیش نمایش صفحه اول مقاله
Three-dimensional models of non-steroidal ligands: A comparative molecular field analysis
چکیده انگلیسی
The estrogen receptor, ER, is an important biological target whose inhibition is known to be therapeutically relevant in the treatment of postmenopausal osteoporosis. In the present study, two prediction methods (CoMFA and GRIND (Almond)) were used to describe the binding modes of a set of estrogen receptor ligands. The critical alignment step presented in CoMFA was solved by using the information of the molecular descriptors space generated by grid-independent descriptors (GRIND). Then, it was possible to build robust and high predictive models based on the alignment-independent model. Since the structure of estrogen receptor is solved, the results of the present 3D QSAR models, given by the PLS maps based on molecular interaction fields (MIF) were compared to ligand-binding ER domains and showed good agreement.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Steroids - Volume 71, Issue 6, June 2006, Pages 417-428
نویسندگان
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