Recent methodologies for the estimation of n-octanol/water partition coefficients and their use in the prediction of membrane transport properties of drugs

Gilles Klopman, Hao Zhu

Research output: Contribution to journalReview articlepeer-review

64 Scopus citations

Abstract

The lipophilicity of drug molecules (represented as the logarithm of the n-octanol/water partition coefficient) often strongly correlates with their pharmacological and toxic activities. It is therefore, not surprising that there is considerable interest in developing mathematical models capable to accurately predict their value for new drug candidates. In this review, current major approaches for estimating partition coefficients are described and some of their advantages and disadvantages are discussed. Recent uses of these partition coefficient algorithms in the development of membrane transport models are also discussed.

Original languageEnglish (US)
Pages (from-to)127-133
Number of pages7
JournalMini-Reviews in Medicinal Chemistry
Volume5
Issue number2
DOIs
StatePublished - Feb 2005
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • Molecular Medicine
  • Pharmacology
  • Drug Discovery
  • Cancer Research

Keywords

  • Lipophilicity
  • Membrane transport
  • Partition coefficient
  • QSAR

Fingerprint Dive into the research topics of 'Recent methodologies for the estimation of n-octanol/water partition coefficients and their use in the prediction of membrane transport properties of drugs'. Together they form a unique fingerprint.

Cite this