کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1367710 981645 2005 5 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Quantitative structure–activity relationship studies of vitamin D receptor affinity for analogues of 1α,25-dihydroxyvitamin D3. 1: WHIM descriptors
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی آلی
پیش نمایش صفحه اول مقاله
Quantitative structure–activity relationship studies of vitamin D receptor affinity for analogues of 1α,25-dihydroxyvitamin D3. 1: WHIM descriptors
چکیده انگلیسی

The weighted holistic invariant molecular (WHIM) approach has been applied to the study of the VDR affinity of 86 vitamin D analogues. A model able to describe more than 71% of the variance in the experimental activity was developed with the use of the mentioned approach. In contrast, none of three different approaches, including the use of BCUT, Galvez topological charge indices, and 2D autocorrelations descriptors, was able to explain more than 38% of the variance in the mentioned property, even with more variables in the equation.

The WHIM approach has been applied to the study of the VDR affinity of 86 vitamin D analogues with excellent results. Three different approaches failed to give satisfactory models for this property.Figure optionsDownload as PowerPoint slide

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Bioorganic & Medicinal Chemistry Letters - Volume 15, Issue 23, 1 December 2005, Pages 5165–5169
نویسندگان
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