Synthesis and structure-activity relationships of a new model of arylpiperazines. 6. Study of the 5-HT1A/α1-adrenergic receptor affinity by classical Hansch analysis, artificial neural networks, and computational simulation of ligand recognition

Journal of Medicinal Chemistry

Volumn 44, Issue 2, 2001, Pages 198-207

  Lopez Rodriguez M L ^a   Morcillo, M J ^b   Fernandez E ^b   Rosado, M L ^b   Pardo, L ^c   Schaper, K J ^d  

^a UNIVERSIDAD COMPLUTENSE DE MADRID   (Spain)

^b UNIVERSIDAD NACIONAL DE EDUCACIÓN A DISTANCIA   (Spain)

^c UNIVERSITAT AUTÒNOMA DE BARCELONA   (Spain)

^d RESEARCH CENTER BORSTEL   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

2 [4 [4 [3 (ETHYLSULFONAMIDO)PHENYL]PIPERAZIN 1 YL]BUTYL] 1,3 DIOXOPERHYDROPYRROLO[1,2 C]IMIDAZOLE; ALPHA 1 ADRENERGIC RECEPTOR; ASPARAGINE; ASPARTIC ACID; EF 7412; HYDANTOIN; PIPERAZINE DERIVATIVE; SERINE; SEROTONIN 1A RECEPTOR; THREONINE; UNCLASSIFIED DRUG;

ANALYTIC METHOD; ANIMAL TISSUE; ARTICLE; ARTIFICIAL NEURAL NETWORK; BINDING AFFINITY; BINDING SITE; DRUG DESIGN; DRUG RECEPTOR BINDING; DRUG SELECTIVITY; DRUG SYNTHESIS; HYDROGEN BOND; HYDROPHOBICITY; IONIZATION; LIGAND BINDING; MALE; MATHEMATICAL COMPUTING; MOLECULAR RECOGNITION; NONHUMAN; NONLINEAR SYSTEM; POSTSYNAPTIC INHIBITION; PRESYNAPTIC INHIBITION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; RAT; STEREOSPECIFICITY;

ANIMALS; BRAIN; CRYSTALLOGRAPHY, X-RAY; LIGANDS; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, MOLECULAR; NEURAL NETWORKS (COMPUTER); PIPERAZINES; PROTEIN STRUCTURE, SECONDARY; RADIOLIGAND ASSAY; RATS; RATS, SPRAGUE-DAWLEY; RECEPTORS, ADRENERGIC, ALPHA-1; RECEPTORS, SEROTONIN; RECEPTORS, SEROTONIN, 5-HT1; SEROTONIN ANTAGONISTS; STRUCTURE-ACTIVITY RELATIONSHIP; SULFONAMIDES;

EID: 0035905849     PISSN: 00222623     EISSN: None     Source Type: Journal    
DOI: 10.1021/jm000930t     Document Type: Article

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