کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5187284 | 1381125 | 2008 | 6 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Theoretical study on potency and selectivity of novel non-peptide inhibitors of matrix metalloproteinases MMP-1 and MMP-3
دانلود مقاله + سفارش ترجمه
دانلود مقاله ISI انگلیسی
رایگان برای ایرانیان
کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی آلی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
By means of molecular modeling and docking studies, two novel non-peptide inhibitors (pyrogallic acid and myricetin) with a new zinc binding group (ZBG) have been evaluated as inhibitors of MMP-1 and MMP-3. The differences in binding affinities for MMP-1 and MMP-3 have been rationalized, and the results are consistent with the experiments of Fang et al. The density functional theory (DFT) method B3LYP/6-31Gâ has also been employed to characterize the interactions between ZBG of pyrogallic acid and the catalytic zinc ion in MMP-1. Our results may be useful for further research in the structure-based design of inhibitors with improved potency and selectivity.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Polymer - Volume 49, Issue 15, 7 July 2008, Pages 3346-3351
Journal: Polymer - Volume 49, Issue 15, 7 July 2008, Pages 3346-3351
نویسندگان
Dailin Li, Qingchuan Zheng, Xuexun Fang, Haitao Ji, Jingang Yang, Hongxing Zhang,