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Discovery of 2-(2-benzoxazoyl amino)-4-aryl-5-cyanopyrimidine as negative allosteric modulators (NAMs) of metabotropic glutamate receptor 5 (mGlu5): from an artificial neural network virtual screen to an in vivo tool compound.
Mueller, Ralf; Dawson, Eric S; Meiler, Jens; Rodriguez, Alice L; Chauder, Brian A; Bates, Brittney S; Felts, Andrew S; Lamb, Jeffrey P; Menon, Usha N; Jadhav, Sataywan B; Kane, Alexander S; Jones, Carrie K; Gregory, Karen J; Niswender, Colleen M; Conn, P Jeffrey; Olsen, Christopher M; Winder, Danny G; Emmitte, Kyle A; Lindsley, Craig W.
ChemMedChem ; 7(3): 406-14, 2012 Mar 05.
Article in English | MEDLINE | ID: mdl-22267125

Subject(s)
Anxiety Disorders/metabolism , Benzoxazoles/chemical synthesis , Brain/drug effects , Psychotropic Drugs/chemical synthesis , Pyrimidines/chemical synthesis , Receptors, Metabotropic Glutamate/antagonists & inhibitors , Allosteric Regulation , Animals , Anxiety Disorders/drug therapy , Behavior, Animal/drug effects , Benzoxazoles/pharmacokinetics , Benzoxazoles/pharmacology , Brain/metabolism , Drug Discovery , Glutamic Acid/metabolism , HEK293 Cells , High-Throughput Screening Assays , Humans , Injections, Intraperitoneal , Mice , Mice, Inbred C57BL , Neural Networks, Computer , Psychotropic Drugs/pharmacokinetics , Psychotropic Drugs/pharmacology , Pyrimidines/pharmacokinetics , Pyrimidines/pharmacology , ROC Curve , Receptor, Metabotropic Glutamate 5 , Receptors, Metabotropic Glutamate/metabolism , Small Molecule Libraries
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