کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1378488 | 982001 | 2007 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Evaluating scoring functions for docking and designing β-secretase inhibitors
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی آلی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
Several simple scoring methods were examined for 2 series of β-secretase (BACE-1) inhibitors to identify a docking/scoring protocol which could be used to design BACE-1 inhibitors in a drug discovery program. Both the PLP1 score and MMFFs interaction energy (Einter) performed as well or better than more computationally intensive methods for a set of substrate-based inhibitors, while the latter performed well for both sets of inhibitors.
Several simple scoring methods were examined for 2 series of β-secretase (BACE-1) inhibitors to identify a docking/scoring protocol which could be used to design BACE-1 inhibitors in a drug discovery program.Figure optionsDownload as PowerPoint slide
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Bioorganic & Medicinal Chemistry Letters - Volume 17, Issue 3, 1 February 2007, Pages 823–827
Journal: Bioorganic & Medicinal Chemistry Letters - Volume 17, Issue 3, 1 February 2007, Pages 823–827
نویسندگان
M. Katharine Holloway, Georgia B. McGaughey, Craig A. Coburn, Shawn J. Stachel, Kristen G. Jones, Elizabeth L. Stanton, Alison R. Gregro, Ming-Tain Lai, Ming-Chih Crouthamel, Beth L. Pietrak, Sanjeev K. Munshi,