کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
10591271 981749 2013 6 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Discovery of novel PTP1B inhibitors via pharmacophore-oriented scaffold hopping from Ertiprotafib
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی آلی
پیش نمایش صفحه اول مقاله
Discovery of novel PTP1B inhibitors via pharmacophore-oriented scaffold hopping from Ertiprotafib
چکیده انگلیسی
An integrated molecular design strategy combining pharmacophore recognition and scaffold hopping was exploited to discover novel PTP1B inhibitors based on the known PTP1B inhibitor Ertiprotafib. A composite pharmacophore model was proposed from the interaction mode of Ertiprotafib, and 21 diverse molecules from five distinct structural classes were designed and synthesized accordingly. New compounds with considerable inhibition against PTP1B were identified from each series, and the most active compound 3a showed IC50 value of 1.3 μmol L−1 against human recombinant PTP1B. Docking study indicated that the new inhibitors assumed binding modes similar to that of Ertiprotafib.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Bioorganic & Medicinal Chemistry Letters - Volume 23, Issue 23, 1 December 2013, Pages 6217-6222
نویسندگان
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