DAT/SERT selectivity of flexible GBR 12909 analogs modeled using 3D-QSAR methods

Bioorganic and Medicinal Chemistry

Volumn 15, Issue 2, 2007, Pages 1146-1159

  Gilbert, Kathleen M ^a   Boos, Terrence L ^b   Dersch, Christina M ^c   Greiner, Elisabeth ^b   Jacobson, Arthur E ^b   Lewis, David ^b   Matecka, Dorota ^b   Prisinzano, Thomas E ^b   Zhang, Ying ^b   Rothman, Richard B ^c   Rice, Kenner C ^b   Venanzi, Carol A ^a  

^a NEW JERSEY INSTITUTE OF TECHNOLOGY   (United States)

^b NATIONAL INSTITUTE OF DIABETES AND DIGESTIVE AND KIDNEY DISEASES   (United States)

^c NATIONAL INSTITUTE ON DRUG ABUSE   (United States)

Author keywords

3D QSAR; Cocaine addiction; DAT SERT selectivity; Dopamine transporter; GBR 12909; Validation

Indexed keywords

DOPAMINE TRANSPORTER; DOPAMINE UPTAKE INHIBITOR; PIPERAZINE; PIPERAZINE DERIVATIVE; PIPERIDINE; PIPERIDINE DERIVATIVE; SEROTONIN TRANSPORTER; VANOXERINE;

ANALYTIC METHOD; ANALYTICAL ERROR; ARTICLE; BIOLOGICAL ACTIVITY; CHEMICAL BOND; COCAINE DEPENDENCE; CONFORMATION; CORRELATION ANALYSIS; DERIVATIZATION; DRUG SELECTIVITY; ELECTRIC ACTIVITY; HYPOTHESIS; MODEL; MOLECULE; PREDICTION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STANDARD; STEREOCHEMISTRY; SUBSTITUTION REACTION; THREE DIMENSIONAL IMAGING; VALIDATION STUDY;

CLUSTER ANALYSIS; COMPUTER SIMULATION; DOPAMINE PLASMA MEMBRANE TRANSPORT PROTEINS; DOPAMINE UPTAKE INHIBITORS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; PIPERAZINES; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; REPRODUCIBILITY OF RESULTS;

EID: 33845431416     PISSN: 09680896     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmc.2006.09.070     Document Type: Article

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