Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors

Journal of Medicinal Chemistry

Volumn 59, Issue 4, 2016, Pages 1580-1598

  Korczynska, Magdalena ^a   Le, Daniel D ^a   Younger, Noah ^a   Gregori Puigjané, Elisabet ^a   Tumber, Anthony ^c,d   Krojer, Tobias ^c   Velupillai, Srikannathasan ^c   Gileadi, Carina ^c   Nowak, Radosław P ^c   Iwasa, Eriko ^b   Pollock, Samuel B ^a   Ortiz Torres, Idelisse ^a   Oppermann, Udo ^c   Shoichet, Brian K ^a   Fujimori, Danica Galonić ^a,b  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b UNIVERSITY OF CALIFORNIA   (United States)

^c UNIVERSITY OF OXFORD   (United Kingdom)

^d UNIVERSITY OF OXFORD   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

2 (5 AMINO 2 HYDROXYPHENYL)ISONICOTINIC ACID; ASPARAGINE DERIVATIVE; BETA LACTAMASE AMPC; FERROUS ION; HISTONE DEMETHYLASE; HISTONE LYSINE DEMETHYLASE 2A; HISTONE LYSINE DEMETHYLASE 3; HISTONE LYSINE DEMETHYLASE 4A; HISTONE LYSINE DEMETHYLASE 4C; HISTONE LYSINE DEMETHYLASE 5; HISTONE LYSINE DEMETHYLASE 6B; HYPOXIA INDUCIBLE FACTOR; JARID1B PROTEIN; JUMONJI DOMAIN CONTAINING HISTONE DEMETHYLASE INHIBITOR; LYSINE DERIVATIVE; MESALAZINE; OXYGENASE INHIBITOR; PLU 1 PROTEIN; PROTEIN; RETINOBLASTOMA BINDING PROTEIN; RETINOBLASTOMA BINDING PROTEIN 2; RETINOL BINDING PROTEIN; RETINOL BINDING PROTEIN 2; TRYPTOPHAN DERIVATIVE; UNCLASSIFIED DRUG; ENZYME INHIBITOR; KDM4A PROTEIN, HUMAN; MOLECULAR LIBRARY;

ARTICLE; CHEMICAL PROCEDURES; CONCENTRATION (PARAMETERS); CONFORMATION; CONTROLLED STUDY; CROSS COUPLING REACTION; CRYSTAL STRUCTURE; DENSITY; DRUG DESIGN; DRUG POTENCY; DRUG SYNTHESIS; ENZYME BINDING; ENZYME INHIBITION; ENZYME STRUCTURE; FRAGMENT LINKING; HILL COEFFICIENT; HISTONE DEMETHYLATION; HYDROGEN BOND; IC50; IN VITRO STUDY; INHIBITION CONSTANT; LIGAND BINDING; MOLECULAR DOCKING; MOLECULAR INTERACTION; MOLECULAR WEIGHT; STRUCTURE ACTIVITY RELATION; SUZUKI REACTION; X RAY CRYSTALLOGRAPHY; ANTAGONISTS AND INHIBITORS; CHEMISTRY; ENZYMOLOGY; HUMAN; METABOLISM; MOLECULAR LIBRARY; NEOPLASMS; PHARMACOLOGY;

CRYSTALLOGRAPHY, X-RAY; DRUG DESIGN; ENZYME INHIBITORS; HUMANS; JUMONJI DOMAIN-CONTAINING HISTONE DEMETHYLASES; MESALAMINE; MOLECULAR DOCKING SIMULATION; NEOPLASMS; SMALL MOLECULE LIBRARIES;

EID: 84959378897     PISSN: 00222623     EISSN: 15204804     Source Type: Journal    
DOI: 10.1021/acs.jmedchem.5b01527     Document Type: Article

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