کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1372637 | 981872 | 2009 | 6 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Studies of cannabinoid-1 receptor antagonists for the treatment of obesity: Hologram QSAR model for biarylpyrazolyl oxadiazole ligands
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موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی آلی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Studies of cannabinoid-1 receptor antagonists for the treatment of obesity: Hologram QSAR model for biarylpyrazolyl oxadiazole ligands Studies of cannabinoid-1 receptor antagonists for the treatment of obesity: Hologram QSAR model for biarylpyrazolyl oxadiazole ligands](/preview/png/1372637.png)
چکیده انگلیسی
Hologram QSAR studies were conducted on a series of 60 training set of cannabinoid-1 receptor (CB1) antagonists. Significant cross-validated correlation coefficients (q2Â =Â 0.763) and noncross-validated correlation coefficients (r2Â =Â 0.897) were obtained. The model was then employed to predict the biological activities of 15 test set compounds, and a good agreement between the experimental and predicted values was verified exhibiting a powerful predictable capability of this model (qpred2=0.868). Contribution map shows that 1,2,4-trizole and cyclopropane moieties make big contributions for the activities. Both the HQSAR model and analysis from the contribution map should be useful for the further design of novel structurally related CB1 antagonists.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Bioorganic & Medicinal Chemistry Letters - Volume 19, Issue 12, 15 June 2009, Pages 3310-3315
Journal: Bioorganic & Medicinal Chemistry Letters - Volume 19, Issue 12, 15 June 2009, Pages 3310-3315
نویسندگان
Mao Ye, Marcia I. Dawson,