Literature DB >> 17643557

3D QSAR models for alpha2a-adrenoceptor agonists.

Balázs Balogh1, Balázs Jójárt, Zsolt Wágner, Péter Kovács, Gáspár Máté, Klára Gyires, Zoltán Zádori, György Falkay, Arpád Márki, Béla Viskolcz, Péter Mátyus.   

Abstract

Three-dimensional structure-activity relationship studies of alpha2a-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 alpha2a-adrenoceptor agonists.

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Year:  2007        PMID: 17643557     DOI: 10.1016/j.neuint.2007.05.021

Source DB:  PubMed          Journal:  Neurochem Int        ISSN: 0197-0186            Impact factor:   3.921


  2 in total

1.  Investigation of antigen-antibody interactions of sulfonamides with a monoclonal antibody in a fluorescence polarization immunoassay using 3D-QSAR models.

Authors:  Zhanhui Wang; Zhenpeng Kai; Ross C Beier; Jianzhong Shen; Xinling Yang
Journal:  Int J Mol Sci       Date:  2012-05-23       Impact factor: 6.208

2.  QSPR analysis of some agonists and antagonists of α-adrenergic receptors.

Authors:  Piotr Kawczak; Leszek Bober; Tomasz Bączek
Journal:  Med Chem Res       Date:  2014-07-15       Impact factor: 1.965

  2 in total

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