کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
9918578 | 1557549 | 2005 | 9 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Predicting permeability coefficient in ADMET evaluation by using different membranes-interaction QSAR
دانلود مقاله + سفارش ترجمه
دانلود مقاله ISI انگلیسی
رایگان برای ایرانیان
کلمات کلیدی
موضوعات مرتبط
علوم پزشکی و سلامت
داروسازی، سم شناسی و علوم دارویی
علوم دارویی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
Membrane-interaction quantitative structure activity relationship (MI-QSAR) analysis was applied to a data set with 18 compounds in 18 different membranes. MI-QSAR was used to estimate the ADMET properties including the transport of organic solutes through biological membranes. The most important descriptors are the aqueous solvation free energy, FH2O, and diffusion coefficient for all membranes. The correlation coefficient, r2, and cross-validation correlation coefficient, q2, for DMPG membrane is 0.850 and 0.770, respectively. The relationship between FH2O and permeability is nonlinear. But the detail effect of aqueous solvation free energy and diffusion coefficient to the permeability depends on the type of membrane. The final models also support the solution-diffusion mechanism of transport is important in membrane.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: International Journal of Pharmaceutics - Volume 304, Issues 1â2, 4 November 2005, Pages 115-123
Journal: International Journal of Pharmaceutics - Volume 304, Issues 1â2, 4 November 2005, Pages 115-123
نویسندگان
Jianzhong Liu, Yi Li, Dahua Pan, Anton J. Hopfinger,