کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
2051014 1074189 2006 7 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Normal mode analysis as a prerequisite for drug design: Application to matrix metalloproteinases inhibitors
موضوعات مرتبط
علوم زیستی و بیوفناوری علوم کشاورزی و بیولوژیک دانش گیاه شناسی
پیش نمایش صفحه اول مقاله
Normal mode analysis as a prerequisite for drug design: Application to matrix metalloproteinases inhibitors
چکیده انگلیسی

We demonstrate the utility of normal mode analysis in correctly predicting the binding modes of inhibitors in the active sites of matrix metalloproteinases (MMPs). We show the accuracy in predicting the positions of MMP-3 inhibitors is strongly dependent on which structure is used as the target, especially when it has been energy minimized. This dependency can be overcome by using intermediate structures generated along one of the normal modes previously calculated for a given target. These results may be of prime importance for further in silico drug discovery.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: FEBS Letters - Volume 580, Issue 22, 2 October 2006, Pages 5130–5136
نویسندگان
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