Improved 3D-QSAR CoMFA of the dopamine transporter blockers with multiple conformations using the genetic algorithm

Bioorganic and Medicinal Chemistry Letters

Volumn 16, Issue 24, 2006, Pages 6267-6272

  Yuan, Hongbin ^a   Petukhov, Pavel A ^a  

^a UNIVERSITY OF ILLINOIS AT CHICAGO   (United States)

Author keywords

3D QSAR; CoMFA; Multiple conformations

Indexed keywords

DOPAMINE TRANSPORTER; PIPERIDINE DERIVATIVE;

ANIMAL TISSUE; ARTICLE; BINDING SITE; COMPARATIVE MOLECULAR FIELD ANALYSIS; COMPARATIVE STUDY; CONTROLLED STUDY; DRUG CONFORMATION; DRUG MECHANISM; DRUG STRUCTURE; GENETIC ALGORITHM; MOLECULAR MODEL; NONHUMAN; PHARMACOPHORE; QUANTITATIVE STRUCTURE ACTIVITY RELATION; RAT;

ALGORITHMS; DOPAMINE ANTAGONISTS; DOPAMINE PLASMA MEMBRANE TRANSPORT PROTEINS; LIGANDS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; PIPERIDINES; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 33750716515     PISSN: 0960894X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmcl.2006.09.037     Document Type: Article

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