3D QSAR models for alpha sub(2a)-adrenoceptor agonists

Three-dimensional structure-activity relationship studies of alpha sub(2a)- adrenoceptor agonists were carried out by Distance Comparison (DISCOthech) and Comparative Molecular Field Analysis (CoMFA) methods to define the pharmacophore and a quantitative model, respectively, of this class of compoun...

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Published inNeurochemistry international Vol. 51; no. 5; pp. 268 - 276
Main Authors Balogh, Balazs, Jojart, Balazs, Wagner, Zsolt, Kovacs, Peter, Mate, Gaspar, Gyires, Klara, Zadori, Zoltan, Falkay, Gyoergy, Marki, Arpad, Viskolcz, Bela, Matyus, Peter
Format Journal Article
LanguageEnglish
Published 01.10.2007
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Summary:Three-dimensional structure-activity relationship studies of alpha sub(2a)- adrenoceptor agonists were carried out by Distance Comparison (DISCOthech) and Comparative Molecular Field Analysis (CoMFA) methods to define the pharmacophore and a quantitative model, respectively, of this class of compounds. The statistical validation of the CoMFA model indicates its high predictive performance for binding affinities of new alpha sub(2a)-adrenoceptor agonists.
Bibliography:ObjectType-Article-2
SourceType-Scholarly Journals-1
content type line 23
ObjectType-Feature-1
ISSN:0197-0186
DOI:10.1016/j.neuint.2007.05.021