Structural basis for ligand recognition at the benzodiazepine binding site of GABAA α3 receptor, and pharmacophore-based virtual screening approach

Journal of Molecular Graphics and Modelling

Volumn 27, Issue 3, 2008, Pages 286-298

  Vijayan, R S K ^a   Ghoshal, Nanda ^a  

^a INDIAN INSTITUTE OF CHEMICAL BIOLOGY   (India)

Author keywords

3D QSAR; Benzodiazepine receptor; Message Address concept; Pharmacophore modeling (HipHop); Scaffold hopping

Indexed keywords

BINDING ENERGY;

3D QSAR; BENZODIAZEPINE RECEPTOR; MESSAGE-ADDRESS CONCEPT; PHARMACOPHORE MODELING (HIPHOP); SCAFFOLD HOPPING;

BINDING SITES;

3 METHYL 6 (3 TRIFLUOROMETHYLPHENYL) 1,2,4 TRIAZOLO[4,3 B]PYRIDAZINE; 4 AMINOBUTYRIC ACID A ALPHA3 RECEPTOR; 4 AMINOBUTYRIC ACID A RECEPTOR; 4 AMINOBUTYRIC ACID A RECEPTOR STIMULATING AGENT; ABECARNIL; BENZODIAZEPINE; BENZODIAZEPINE RECEPTOR STIMULATING AGENT; DIAZEPAM; ROD 185; UNCLASSIFIED DRUG; ZOLPIDEM;

AMINO ACID SEQUENCE; ARTICLE; BINDING SITE; CALCULATION; CONTROLLED STUDY; DRUG RECEPTOR BINDING; MOLECULAR MODEL; MOLECULAR RECOGNITION; PHARMACOPHORE; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STRUCTURE ANALYSIS;

AMINO ACID SEQUENCE; BENZODIAZEPINES; BINDING SITES; DRUG DESIGN; DRUG EVALUATION, PRECLINICAL; LIGANDS; MODELS, MOLECULAR; MOLECULAR SEQUENCE DATA; PHTHALAZINES; PRINCIPAL COMPONENT ANALYSIS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; RECEPTORS, GABA-A; REPRODUCIBILITY OF RESULTS;

EID: 53549122456     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2008.05.003     Document Type: Article

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