Aqueous solubility: simple predictive methods (in silico, in vitro and bio-relevant approaches).

David Elder, René Holm
Author Information
  1. David Elder: GSK Pharmaceuticals, Park Road, Ware, Hertfordshire, SG12 0DP, United Kingdom.

Abstract

Aqueous solubility is a key physicochemical attribute required for the characterisation of an active pharmaceutical ingredient (API) during drug discovery and beyond. Furthermore, aqueous solubility is highly important for formulation selection and subsequent development processes. This review provides a summary of simple predictive methods used to assess aqueous solubility as well as an assessment of the more complex in silico methodologies and a review of the recent solubility challenge. In addition, a summary of experimental methods to determine solubility is included, with a discussion of some potential pitfalls.

Keywords

MeSH Term

Chemistry, Pharmaceutical
Computer Simulation
Humans
Models, Chemical
Pharmaceutical Preparations
Solubility
Water

Chemicals

Pharmaceutical Preparations
Water