کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1366216 981585 2007 4 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
3D-QSAR studies on sildenafil analogues, selective phosphodiesterase 5 inhibitors
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی آلی
پیش نمایش صفحه اول مقاله
3D-QSAR studies on sildenafil analogues, selective phosphodiesterase 5 inhibitors
چکیده انگلیسی

Sildenafil, one of selective phosphodiesterase 5 (PDE5) inhibitors, is a widely used oral agent for the treatment of erectile dysfunction. To develop new PDE5 inhibitors with improved therapeutic efficacy, a series of sildenafil analogues have been prepared and their in vitro PDE5 inhibitory activities were evaluated. Their IC50 values ranged from 423 to 0.05 nM. Herein, the results of 3D-QSAR (CoMFA and CoMSIA) analyses on these inhibitors are reported. Both CoMFA and CoMSIA gave reliable models with q2 values >0.75 and r2 values >0.99. The resulting CoMFA and CoMSIA models reveal a good correlation between the contour maps and the active site residues critical for the interaction with inhibitor, and nicely predict the key structural features of new analogues with improved activity and selectivity.

A series of sildenafil analogues have been prepared and their in vitro PDE5 inhibitory activities were evaluated. Herein, the results of 3D-QSAR (CoMFA and CoMSIA) analyses on these inhibitors are reported.Figure optionsDownload as PowerPoint slide

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Bioorganic & Medicinal Chemistry Letters - Volume 17, Issue 15, 1 August 2007, Pages 4271–4274
نویسندگان
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