کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1364741 981545 2008 5 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Use of the X-ray structure of the β2-adrenergic receptor for drug discovery. Part 2: Identification of active compounds
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی آلی
پیش نمایش صفحه اول مقاله
Use of the X-ray structure of the β2-adrenergic receptor for drug discovery. Part 2: Identification of active compounds
چکیده انگلیسی

The recently published X-ray structures of the β2-adrenergic receptor are the first examples of ligand-mediated GPCR crystal structures. We have previously performed computational studies that examine the potential viability of these structures for use in drug design, exploiting known ligand activities. Our previous study and a newly reported β2/Timolol X-ray complex provide validation of the computational approaches. In the present work, we use the X-ray structures to extract, via in silico high-throughput docking, compounds from proprietary and commercial databases and demonstrate the successful identification of active compounds by radioligand binding.

The previous use of a β2-adrenergic receptor’s X-ray in docking studies is now validated with binding data and a recently published X-ray structure with Timolol.Figure optionsDownload as PowerPoint slide

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Bioorganic & Medicinal Chemistry Letters - Volume 18, Issue 20, 15 October 2008, Pages 5391–5395
نویسندگان
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