کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1369448 981779 2012 5 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Discovery of potent inhibitors of receptor protein tyrosine phosphatase sigma through the structure-based virtual screening
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی آلی
پیش نمایش صفحه اول مقاله
Discovery of potent inhibitors of receptor protein tyrosine phosphatase sigma through the structure-based virtual screening
چکیده انگلیسی

Receptor protein tyrosine phosphatase sigma (PTPσ) has proved to be a promising target for the development of therapeutics for the treatment of neurological diseases. Here, we report the first example for a successful application of the structure-based virtual screening to identify the novel small-molecule inhibitors of PTPσ. These inhibitors revealed high potencies with the associated IC50 values ranging from 0.1 to 1.3 μM and were also screened for having desirable physicochemical properties as a drug candidate. Therefore, they deserve consideration for further development by structure–activity relationship studies to develop therapeutics for neurological diseases. Structural features relevant to the stabilization of the newly identified inhibitors in the active site of PTPσ are discussed in detail.

We have identified novel inhibitors of receptor protein tyrosine phosphatase sigma based on the structure-based virtual screening and in vitro enzyme assay.Figure optionsDownload as PowerPoint slide

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Bioorganic & Medicinal Chemistry Letters - Volume 22, Issue 20, 15 October 2012, Pages 6333–6337
نویسندگان
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