کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
7802900 1501171 2011 11 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Docking studies of benzylidene anabaseine interactions with α7 nicotinic acetylcholine receptor (nAChR) and acetylcholine binding proteins (AChBPs): Application to the design of related α7 selective ligands
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی آلی
پیش نمایش صفحه اول مقاله
Docking studies of benzylidene anabaseine interactions with α7 nicotinic acetylcholine receptor (nAChR) and acetylcholine binding proteins (AChBPs): Application to the design of related α7 selective ligands
چکیده انگلیسی
► Docking anabaseine analogs into Ac reproduces experimentally-observed binding modes. ► Docking predicts that these analogs exhibit similar binding modes in Bt, Ls and α7. ► OH group of DMXBA metabolite acts as an HBD to Ac, Bt and α7, but as an HBA to Ls. ► Docking into Ls scores better than Bt and Ac, as surrogate to predict binding to α7. ► Designed related quinuclidine series show improved affinity and selectivity for α7.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: European Journal of Medicinal Chemistry - Volume 46, Issue 11, November 2011, Pages 5625-5635
نویسندگان
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