Virtual Screening of CB2 Receptor Agonists from Bayesian Network and High-Throughput Docking: Structural Insights into Agonist-Modulated GPCR Features

Chemical Biology and Drug Design

Volumn 81, Issue 4, 2013, Pages 442-454

  Renault, Nicolas ^a   Laurent, Xavier ^a   Farce, Amaury ^a,b   El Bakali, Jamal ^b   Mansouri, Roxane ^b   Gervois, Philippe ^b   Millet, Régis ^b   Desreumaux, Pierre ^c   Furman, Christophe ^b   Chavatte, Philippe ^a,b  

^a Université de Lille 1 Sciences et Technologies   (France)

^b Faculté des Sciences Pharmaceutiques et Biologiques Université de Lille   (France)

^c UNIVERSITÉ DE LILLE   (France)

Author keywords

Bayesian; CB2 agonists; G protein coupled receptor; High throughput docking; Structure based; Virtual screening

Indexed keywords

AM 841; AROMATIC AMINO ACID; CANNABINOID; CANNABINOID 2 RECEPTOR AGONIST; CP 55 940; DEXANABINOL; G PROTEIN COUPLED RECEPTOR; HU 243; UNCLASSIFIED DRUG; WIN 55 212;

ARTICLE; BAYES THEOREM; BINDING AFFINITY; CONTROLLED STUDY; DRUG DESIGN; DRUG STRUCTURE; HIGH THROUGHPUT SCREENING; MOLECULAR DOCKING; PRIORITY JOURNAL; RELIABILITY; SEQUENCE HOMOLOGY;

BAYES THEOREM; BINDING SITES; HYDROGEN BONDING; LIGANDS; MOLECULAR DOCKING SIMULATION; PROTEIN STRUCTURE, TERTIARY; RECEPTOR, CANNABINOID, CB2; ROC CURVE;

EID: 84875640243     PISSN: 17470277     EISSN: 17470285     Source Type: Journal    
DOI: 10.1111/cbdd.12095     Document Type: Article

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