کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
10588354 981454 2012 5 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Identification of chalcones as potent and selective PDE5A1 inhibitors
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی آلی
پیش نمایش صفحه اول مقاله
Identification of chalcones as potent and selective PDE5A1 inhibitors
چکیده انگلیسی
Chalcones have an affinity for many receptors, enzymes, and transcription factors as flavonoid analogues. Their most studied pharmacological action is that of vasodilatation due to inhibition of phosphodiesterase 5A1 (PDE5A1). To this end, we have established a recursive partitioning model with 3 chemical descriptors for the prediction of compounds that can inhibit PDE5A1. This model was able to predict active compounds with an accuracy of 82.8%. Compound 4 was found to be a potent and selective inhibitor, with a relatively low IC50 value. The binding mechanism of this compound was also investigated through molecular docking studies.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Bioorganic & Medicinal Chemistry Letters - Volume 22, Issue 12, 15 June 2012, Pages 3983-3987
نویسندگان
, , , ,