کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
443879 692795 2006 6 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Molecular basis for the enantioselective binding of a novel class of cytochrome bc1 complex inhibitors
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Molecular basis for the enantioselective binding of a novel class of cytochrome bc1 complex inhibitors
چکیده انگلیسی

The recently solved co-crystal structures of mitochondrial cytochrome bc1 complex with inhibitors have provided an important structural framework for the elucidation of modes of binding of various bc1 complex inhibitors. N-Phenyl triazolones, a novel class of bc1 complex ubiquinol oxidation (Qo)-site inhibitors, were found to exhibit atropisomerism; in few cases, the atropisomers were resolved and shown to express different biological activities. However, the underlying mechanism for such differential binding of the enantiomers to bc1 complex is unknown. Here molecular docking is used to examine the binding modes of the N-phenyl triazolones fungicides. Our docking studies allow the molecular basis for the enantioselective binding of atropisomeric triazolones to be elucidated. Furthermore, the mode of binding of azoxystrobin has also been clarified.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Graphics and Modelling - Volume 25, Issue 1, September 2006, Pages 71–76
نویسندگان
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