کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
442997 | 692450 | 2007 | 10 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
3D QSAR studies on a series of potent and high selective inhibitors for three kinases of RTK family
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موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: 3D QSAR studies on a series of potent and high selective inhibitors for three kinases of RTK family 3D QSAR studies on a series of potent and high selective inhibitors for three kinases of RTK family](/preview/png/442997.png)
چکیده انگلیسی
For targets belonging to the same family of receptors, inhibitors often act at more than one biological target and produce a synergistic effect. Separate CoMFA and CoMSIA models were developed from our data set for the KDR, cKit and Tie-2 inhibitors. These models showed excellent internal predictability and consistency, and validation using test-set compounds yielded a good predictive power for the pIC50 value. The field contour maps (CoMFA and CoMSIA) corresponding to the KDR, cKit and Tie-2 kinase subtypes reflected the characteristic similarities and differences between these types. These maps provided valuable information to facilitate structural modifications of the inhibitor to increase selectivity for the KDR over cKit and Tie-2.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Graphics and Modelling - Volume 26, Issue 1, July 2007, Pages 236–245
Journal: Journal of Molecular Graphics and Modelling - Volume 26, Issue 1, July 2007, Pages 236–245
نویسندگان
Hongyu Cao, Huabei Zhang, Xuefang Zheng, Dabin Gao,