Estimation of Aqueous Solubility in Drug Design

Author: Huuskonen J.

Source: Combinatorial Chemistry & High Throughput Screening, Volume 4, Number 3, May 2001 , pp. 311-316(16)

Publisher: Bentham Science Publishers

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Abstract:

The solubility of drugs in water is of central importance in the process of drug discovery and development from molecular design to pharmaceutical formulation and biopharmacy. The ability to estimate the aqueous solubility and other properties of a promising lead compound affecting its pharmacokinetics is a prerequisite to rational drug design, although it has received much less attention than the prediction of drug-receptor interactions. In this review, methods for the estimation of aqueous solubility of organic compounds are described and limited to approaches, which might be used in the early stage of drug design and development.

Keywords: Aqueous Solubility; Solvatochromic Parameters; Topological Indices; electrotopological state; intermolecular interactions

Language: English

Document Type: Review article

DOI: http://dx.doi.org/10.2174/1386207013331147

Publication date: 2001-05-01

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Combinatorial Chemistry & High Throughput Screening publishes full length original research articles and reviews describing various topics in combinatorial chemistry (e.g. small molecules, peptide, nucleic acid or phage display libraries) and/or high throughput screening (e.g. developmental, practical or theoretical). Ancillary subjects of key importance, such as robotics and informatics, will also be covered by the journal. In these respective subject areas, Combinatorial Chemistry & High Throughput Screening is intended to function as the most comprehensive and up-to-date medium available. The journal should be of value to individuals engaged in the process of drug discoveryand development, in the settings of industry, academia or government.