کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1411611 | 1501868 | 2009 | 12 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
A three-dimensional pharmacophore model for RXRα agonists
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موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی آلی
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چکیده انگلیسی
Three-dimensional pharmacophore models were generated for RXRα receptor agonists using quantitative approach (CATALYST HypoRefine). One optimal pharmacophore model for selective RXRα agonists was determined through careful validation processes. The best quantitative model (Hypo-1) had four features and eight excluded volumes: three hydrophobic groups and one hydrogen bond receptor. The model was validated using a wide range of test molecules. It could predict agonist activity and identify highly potent molecules. The present results are valuable to discover and develop specific RXRα agonists with desired biological activities.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure - Volume 920, Issues 1â3, 28 February 2009, Pages 252-263
Journal: Journal of Molecular Structure - Volume 920, Issues 1â3, 28 February 2009, Pages 252-263
نویسندگان
Aiguo Dong, Junfeng Huo, Qingzhi Gao, Kang Zhao, Jing Wei,