Discovery of 2-(2-Benzoxazoyl amino)-4-Aryl-5-Cyanopyrimidine as Negative Allosteric Modulators (NAMs) of Metabotropic Glutamate Receptor5 (mGlu 5): From an Artificial Neural Network Virtual Screen to an In Vivo Tool Compound

ChemMedChem

Volumn 7, Issue 3, 2012, Pages 406-414

  Mueller, Ralf ^a   Dawson, Eric S ^b   Meiler, Jens ^a   Rodriguez, Alice L ^b   Chauder, Brian A ^b   Bates, Brittney S ^b   Felts, Andrew S ^b   Lamb, Jeffrey P ^b   Menon, Usha N ^b   Jadhav, Sataywan B ^b   Kane, Alexander S ^b   Jones, Carrie K ^b,c   Gregory, Karen J ^b,d   Niswender, Colleen M ^b   Conn, P Jeffrey ^b   Olsen, Christopher M ^b   Winder, Danny G ^b   Emmitte, Kyle A ^a,b   Lindsley, Craig W ^a,b  

^a VANDERBILT UNIVERSITY   (United States)

^b VANDERBILT UNIVERSITY SCHOOL OF MEDICINE   (United States)

^c DEPARTMENT OF VETERANS AFFAIRS   (United States)

^d MONASH UNIVERSITY   (Australia)

Author keywords

Addiction; Allosteric modulators; Artificial neural networks; Metabotropic glutamate receptors; Structure activity relationships

Indexed keywords

2 (2 BENZOXAZOLYLAMINO) 4 PHENYLPYRIMIDINE; 2 (2 BENZOXAZOYL AMINO) 4 ARYL 5 CYANOPYRIMIDINE; 2 ETHOXYPHENYL DERIVATIVE; 2 METHOXYPHENYL DERIVATIVE; 3 [(2 METHYL 4 THIAZOLYL)ETHYNYL]PYRIDINE; 3 CHLOROPHENYL DERIVATIVE; 4 CHLORO 2 FLUOROPHENYL DERIVATIVE; 4 CHLORO 2 METHOXYPHENYL DERIVATIVE; 4 ETHYLPHENYL DERIVATIVE; 4 FLUORO 2 METHOXYPHENYL DERIVATIVE; 4 METHYLPHENYL DERIVATIVE; FLUOROPHENYL DERIVATIVE; METABOTROPIC RECEPTOR 5; METABOTROPIC RECEPTOR ANTAGONIST; MITOGEN ACTIVATED PROTEIN KINASE 1; MITOGEN ACTIVATED PROTEIN KINASE 3; PYRIMIDINE DERIVATIVE; UNCLASSIFIED DRUG;

ANIMAL CELL; ANIMAL TISSUE; ARTICLE; ARTIFICIAL NEURAL NETWORK; CHEMICAL REACTION KINETICS; CONCENTRATION RESPONSE; DOSE RESPONSE; DRUG BINDING; DRUG POTENCY; DRUG SCREENING; ENZYME PHOSPHORYLATION; HIGH THROUGHPUT SCREENING; HUMAN; HUMAN CELL; IC 50; LIVER MICROSOME; MOUSE; NONHUMAN; PRIORITY JOURNAL; RAT; STRUCTURE ACTIVITY RELATION; SUBSTITUTION REACTION;

ALLOSTERIC REGULATION; ANIMALS; ANXIETY DISORDERS; BEHAVIOR, ANIMAL; BENZOXAZOLES; BRAIN; DRUG DISCOVERY; GLUTAMIC ACID; HEK293 CELLS; HIGH-THROUGHPUT SCREENING ASSAYS; HUMANS; INJECTIONS, INTRAPERITONEAL; MICE; MICE, INBRED C57BL; NEURAL NETWORKS (COMPUTER); PSYCHOTROPIC DRUGS; PYRIMIDINES; RECEPTORS, METABOTROPIC GLUTAMATE; ROC CURVE; SMALL MOLECULE LIBRARIES;

EID: 84857732011     PISSN: 18607179     EISSN: 18607187     Source Type: Journal    
DOI: 10.1002/cmdc.201100510     Document Type: Article

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