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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, D-40225 Dusseldorf, Germany Univ Dusseldorf Dusseldorf Germany D-40225 , D-40225 Dusseldorf, Germany Vrije Univ Amsterdam, Fac Chem, Dept Pharmacochem, Leiden Amsterdam Ctr Drug Res, NL-1081 HV Amsterdam, Netherlands Vrije Univ Amsterdam Amsterdam Netherlands NL-1081 HV erdam, Netherlands
Titolo Testata:
PERSPECTIVES IN DRUG DISCOVERY AND DESIGN
, volume: 18, anno: 2000,
pagine: 1 - 18
SICI:
0928-2866(2000)18:<1:THFCAF>2.0.ZU;2-X
Fonte:
ISI
Lingua:
ENG
Soggetto:
MOLECULAR LIPOPHILICITY; F-VALUES; 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,D-40225 Dusseldorf, Germany Univ Dusseldorf Univ Str 1 Dusseldorf GermanyD-40225 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. 1-18

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 C-M. 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