کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1367703 981645 2005 7 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Structural basis for the GSK-3β binding affinity and selectivity against CDK-2 of 1-(4-aminofurazan-3yl)-5-dialkylaminomethyl-1H-[1,2,3] triazole-4-carboxylic acid derivatives
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی آلی
پیش نمایش صفحه اول مقاله
Structural basis for the GSK-3β binding affinity and selectivity against CDK-2 of 1-(4-aminofurazan-3yl)-5-dialkylaminomethyl-1H-[1,2,3] triazole-4-carboxylic acid derivatives
چکیده انگلیسی

A novel structural class of glycogen synthase kinase-3β inhibitors is modeled using quantum mechanics, automated docking, and molecular dynamics simulations. The proposed binding modes identify important hydrogen bonds and salt-bridges with the ATP-binding pocket of the kinase. The modeled complexes justify the observed structure–activity relationships and provide a structural basis for the high selectivity of these inhibitors against cyclin dependent kinase-2.

A novel structural class of glycogen synthase kinase-3β inhibitors is modeled. The proposed binding modes justify the observed structure–activity relationships and provide a structural basis for the high selectivity of these inhibitors against cyclin dependent kinase-2.Figure optionsDownload as PowerPoint slide

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Bioorganic & Medicinal Chemistry Letters - Volume 15, Issue 23, 1 December 2005, Pages 5129–5135
نویسندگان
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