کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1367703 | 981645 | 2005 | 7 صفحه PDF | دانلود رایگان |
![عکس 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 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](/preview/png/1367703.png)
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
Journal: Bioorganic & Medicinal Chemistry Letters - Volume 15, Issue 23, 1 December 2005, Pages 5129–5135