Quantitative structure activity relationships (QSAR) of substituded (S)-phenylpiperidines as preferential dopamine autoreceptor antagonists

A QSAR analysis for substituted (S)-phenylpiperidines as dopamine (DA) antagonists is described. The studied derivatives differ at the nitrogen substitutent (R) and at the substitutents (X) of the phenyl-ring. The analysis was done using the C-QSAR suite program (Biobyte) through the Internet. Clog...

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Published inJournal of enzyme inhibition and medicinal chemistry Vol. 20; no. 1; pp. 5 - 12
Main Authors Pontiki, Eleni A., Hadjipavlou-Litina, Dimitra J., Demertzis, Athanassios M., Hadjidakis, Ioannis, Kovala-Demertzi, Dimitra
Format Journal Article
LanguageEnglish
Published England Informa UK Ltd 01.02.2005
Taylor & Francis
Subjects
(S)-phenylpiperidines
Animals
Dopamine - metabolism
dopamine antagonists
Dopamine Antagonists - pharmacology
Molecular Structure
Piperidines - chemistry
Piperidines - pharmacology
QSAR
Quantitative structure activity relationships
Quantitative Structure-Activity Relationship
Rats
Receptors, Dopamine D1 - metabolism
Receptors, Dopamine D2 - metabolism
Stereoisomerism
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Summary:A QSAR analysis for substituted (S)-phenylpiperidines as dopamine (DA) antagonists is described. The studied derivatives differ at the nitrogen substitutent (R) and at the substitutents (X) of the phenyl-ring. The analysis was done using the C-QSAR suite program (Biobyte) through the Internet. Clog P, CMR, MVol, B1 and L (the Verloop's sterimol parameters for the substitutents) were used as parameters. In all the three studied cases clog P plays a significant part in the QSAR of DA antagonists, followed by the steric factors. In one case the electronic effect contributes significantly.
Bibliography:ObjectType-Article-1
SourceType-Scholarly Journals-1
ObjectType-Feature-2
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ISSN:1475-6366
1475-6374
DOI:10.1080/14756360400002023