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Titolo: The hydrophobic fragmental constant approach for calculating log P in octanol/water and aliphatic hydrocarbon/water systems
Autore: Mannhold, R; Rekker, RF;
 Indirizzi:
 Univ Dusseldorf, Dept Laser Med, Mol Drug Res Grp, D40225 Dusseldorf, Germany Univ Dusseldorf Dusseldorf Germany D40225 , D40225 Dusseldorf, Germany Vrije Univ Amsterdam, Fac Chem, Dept Pharmacochem, Leiden Amsterdam Ctr Drug Res, NL1081 HV Amsterdam, Netherlands Vrije Univ Amsterdam Amsterdam Netherlands NL1081 HV erdam, Netherlands
 Titolo Testata:
 PERSPECTIVES IN DRUG DISCOVERY AND DESIGN
,
volume: 18,
anno: 2000,
pagine: 1  18
 SICI:
 09282866(2000)18:<1:THFCAF>2.0.ZU;2X
 Fonte:
 ISI
 Lingua:
 ENG
 Soggetto:
 MOLECULAR LIPOPHILICITY; FVALUES; EXTENSION; BRAIN;
 Keywords:
 aliphatic hydrocarbon/water partitioning; calculation procedures; fragmental methods; lipophilicity; octanol/water partitioning;
 Tipo documento:
 Review
 Natura:
 Periodico
 Settore Disciplinare:
 Life Sciences
 Citazioni:
 19
 Recensione:
 Indirizzi per estratti:
 Indirizzo: Mannhold, R Univ Dusseldorf, Dept Laser Med, Mol Drug Res Grp, Univ Str 1,D40225 Dusseldorf, Germany Univ Dusseldorf Univ Str 1 Dusseldorf GermanyD40225 Germany



 Citazione:
 R. Mannhold e R.F. Rekker, "The hydrophobic fragmental constant approach for calculating log P in octanol/water and aliphatic hydrocarbon/water systems", PERSP DR D, 18, 2000, pp. 118
Abstract
Lipophilicity is a prime physicochemical parameter in describing both pharmacodynamic and pharmacokinetic aspects of drug action. Its quantitative descriptor (log P) is measured in or calculated for different model solvent systems depending on the respective scientific interest. The first part of this article focuses on the hydrophobic fragmental constant approach (Sigma f system) for octanol/water partitioning. The original approach and its revisions are presented, followed by recipes for the practical procedure of Sigma f calculations and a detailed description of how to apply the correction factor CM. A Sigma f system for application in the study of aliphatic hydrocarbon/water (ahc/w) partitioning is described in the second part of thearticle. The current version is based on an optimized coupling of the ahc/w system with f constants for octanol/water partitioning. A total of 70 f(ahc) values are now available.
ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 08/04/20 alle ore 22:47:39