کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5413077 | 1393465 | 2009 | 7 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Prediction of drug solubility in mixed solvents using computed Abraham parameters
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موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
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چکیده انگلیسی
Solubilization of drugs/drug candidates is still a challenging area in drug discovery and development investigations which computational methods could play a significant role in solving the problem. An extended version of the Jouyban-Acree model using computational Abraham's solute parameters was proposed to compute the solubility of drugs in aqueous mixtures of the cosolvents. A generally trained version of the combined model was proposed which is able to predict the solubility of drugs in water-cosolvent mixtures at various temperatures using the solubility data in neat cosolvent and water as experimental input values. The overall mean percentage deviation was 42.4 ± 59.5% which was significantly less than the overall mean percentage deviation of the similar one, i.e. log-linear model, 77.7 ± 80.8%. More general and accurate models were provided for predicting the drug solubility in water-cosolvent mixtures at various temperatures which could be employed in early stages of drug discovery and development processes to find the most appropriate cosolvent and its best composition for solubilizing a desired amount of the drug/drug candidate in a given volume of the solution.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Liquids - Volume 146, Issue 3, 30 June 2009, Pages 82-88
Journal: Journal of Molecular Liquids - Volume 146, Issue 3, 30 June 2009, Pages 82-88
نویسندگان
A. Jouyban, Sh. Soltanpour, S. Soltani, E. Tamizi, M.A. Abolghassemi Fakhree, W.E. Jr.,