کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1376602 981962 2008 4 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
New PPARγ ligands based on 2-hydroxy-1,4-naphthoquinone: Computer-aided design, synthesis, and receptor-binding studies
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی آلی
پیش نمایش صفحه اول مقاله
New PPARγ ligands based on 2-hydroxy-1,4-naphthoquinone: Computer-aided design, synthesis, and receptor-binding studies
چکیده انگلیسی

FlexX-based molecular docking study was employed to identify 2-hydroxy-1,4-naphthoquinone as a new ‘acidic head group’ for the design of a novel series of PPARγ ligands. To provide the proof of concept, designed molecules were synthesized and evaluated in a standard radioligand-binding assay. Out of eight molecules, four were found to bind to the murine PPARγ with IC50 ranging from 0.2 to 56.2 μM as compared to standard pioglitazone, with IC50 of 0.7 μM.

2-Hydroxy-1,4-naphthoquinone was identified as a novel ‘acidic head group’ for the design of new series PPARγ ligands using docking studies. Synthesis and receptor-binding studies were used to validate the concept.Figure optionsDownload as PowerPoint slide

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Bioorganic & Medicinal Chemistry Letters - Volume 18, Issue 11, 1 June 2008, Pages 3192–3195
نویسندگان
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