title: 3D QSAR models for alpha2a-adrenoceptor agonists.
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.
authors.affiliation: Department of Organic Chemistry, Semmelweis University, Hogyes E.u. 7, 1095 Budapest, Hungary.
authors.forename: Balázs
authors.initials: B
authors.lastname: Balogh
authors.forename: Balázs
authors.initials: B
authors.lastname: Jójárt
authors.forename: Zsolt
authors.initials: Z
authors.lastname: Wágner
authors.forename: Péter
authors.initials: P
authors.lastname: Kovács
authors.forename: Gáspár
authors.initials: G
authors.lastname: Máté
authors.forename: Klára
authors.initials: K
authors.lastname: Gyires
authors.forename: Zoltán
authors.initials: Z
authors.lastname: Zádori
authors.forename: György
authors.initials: G
authors.lastname: Falkay
authors.forename: Arpád
authors.initials: A
authors.lastname: Márki
authors.forename: Béla
authors.initials: B
authors.lastname: Viskolcz
authors.forename: Péter
authors.initials: P
authors.lastname: Mátyus
mesh_terms: D058647:Adrenergic alpha-2 Receptor Agonists; D000316:Adrenergic alpha-Agonists / Q000737:chemistry* / Q000494:pharmacology*; D000465:Algorithms; D008024:Ligands; D008958:Models, Molecular; D008968:Molecular Conformation; D021281:Quantitative Structure-Activity Relationship; D018341:Receptors, Adrenergic, alpha-2 / Q000737:chemistry*; D015203:Reproducibility of Results
chemical_list: D058647:Adrenergic alpha-2 Receptor Agonists; D000316:Adrenergic alpha-Agonists; D008024:Ligands; D018341:Receptors, Adrenergic, alpha-2