کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1373847 | 981908 | 2006 | 9 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
In silico identification and biochemical characterization of novel inhibitors of NQO1
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی آلی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: In silico identification and biochemical characterization of novel inhibitors of NQO1 In silico identification and biochemical characterization of novel inhibitors of NQO1](/preview/png/1373847.png)
چکیده انگلیسی
From in silico docking and COMPARE analysis, novel inhibitors of human NAD(P)H quinone oxidoreductase (NQO1) have been identified from the NCI compound database, the most potent of which has an observed IC50 of 0.7 μM. The inhibitors exhibit a diverse range of scaffolds. The ability of docking calculations to predict experimentally determined binding affinities for NQO1 is discussed, considering the influence of target flexibility and scoring function.
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ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Bioorganic & Medicinal Chemistry Letters - Volume 16, Issue 24, 15 December 2006, Pages 6246–6254
Journal: Bioorganic & Medicinal Chemistry Letters - Volume 16, Issue 24, 15 December 2006, Pages 6246–6254
نویسندگان
Karen A. Nolan, David J. Timson, Ian J. Stratford, Richard A. Bryce,