کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
9769302 1501250 2005 5 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Towards a model for the inhibition of choline kinase by a new type of inhibitor
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی آلی
پیش نمایش صفحه اول مقاله
Towards a model for the inhibition of choline kinase by a new type of inhibitor
چکیده انگلیسی
Bispyridinium cyclophanes are novel templates for human choline kinase inhibitors. Molecular modelling of these compounds suggests three anchorage places at the binding site of the enzyme: (i) two anionic centres of the enzyme active site separated from each other at a distance of ≈6.2 Å that bind the two positively charged nitrogen atoms; (ii) a wide hydrophobic pocket that is fulfilled by the upper linker, the benzene ring that links the two amino groups; and (iii) a smaller hydrophobic pocket that can accommodate the lower benzene ring that links both benzylic carbons. This study may be useful for the development of more potent inhibitors of the enzyme.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: European Journal of Medicinal Chemistry - Volume 40, Issue 3, March 2005, Pages 315-319
نویسندگان
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