Deviations of drug solubility in water-cosolvent mixtures from the Jouyban-Acree model: effect of solute structure

Jouyban, A, Fakhree, M A A, Ghafourian, T, Saei, A A and Acree Jr., W E (2008) Deviations of drug solubility in water-cosolvent mixtures from the Jouyban-Acree model: effect of solute structure. Pharmazie, 63 (2). pp. 113-121. ISSN 0031-7144

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Abstract

Deviations of the predicted solubilities using the Jouyban-Acree model from experimental data were correlated to the structural descritptors of the drugs computed by HyperChem® software. The proposed models are able to predict the solubility in water-cosolvent mixtures and reduced the mean percentage deviations (MPD) of predicted solubilities from 24, 48, and 53 to 16, 33 and 38, respectively for water-propylene glycol, water-ethanol and water-polyethylene glycol 400 mixtures, with the overall improvement in prediction capability of the model being ~13%.

Item Type: Article
Keywords: acetazolamide; acetylsalicylic acid; adenine; adenosine; alcohol; aminophenazone; ampicillin; atropine; benzamide; benzoic acid; bumetanide; butyl paraben; butylcaine; carbamazepine; chloramphenicol; cimetidine; clofazimine; cortisone; dapsone; diflunisal; equilin; estriol; estrone; fenbufen; glafenine; macrogol; propylene glycol; solvent; unindexed drug; water, article; computer program; drug solubility; Jouyban Acree model; mathematical model; prediction; solute, Algorithms; Chemistry, Pharmaceutical; Computer Simulation; Data Interpretation, Statistical; Ethanol; Models, Chemical; Models, Statistical; Pharmaceutical Preparations; Polyethylene Glycols; Software; Solubility; Solvents; Water
Schools and Departments: School of Life Sciences > Biochemistry
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Depositing User: Taravat Ghafourian
Date Deposited: 30 Nov 2017 11:39
Last Modified: 30 Nov 2017 11:39
URI: http://sro.sussex.ac.uk/id/eprint/64149
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