3D QSAR models for α2a-adrenoceptor agonists

Balázs Balogh, Balázs Jójárt, Zsolt Wágner, Péter Kovács, Gáspár Máté, Klára Gyires, Zoltán Zádori, György Falkay, Árpád Márki, Béla Viskolcz, Péter Mátyus

Research output: Article

6 Citations (Scopus)

Abstract

Three-dimensional structure-activity relationship studies of α2a-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 α2a-adrenoceptor agonists.

Original languageEnglish
Pages (from-to)268-276
Number of pages9
JournalNeurochemistry international
Volume51
Issue number5
DOIs
Publication statusPublished - okt. 1 2007

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ASJC Scopus subject areas

  • Cellular and Molecular Neuroscience
  • Cell Biology

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