Binding mode and structure-activity relationships around direct inhibitors of the Nrf2-Keap1 complex

ChemMedChem

Volumn 9, Issue 4, 2014, Pages 699-705

  Jnoff, Eric ^a   Albrecht, Claudia ^b   Barker, John J ^b   Barker, Oliver ^b   Beaumont, Edward ^b   Bromidge, Steven ^b   Brookfield, Frederick ^b   Brooks, Mark ^b   Bubert, Christian ^b   Ceska, Tom ^a   Corden, Vincent ^c   Dawson, Graham ^b   Duclos, Stephanie ^b   Fryatt, Tara ^b   Genicot, Christophe ^a   Jigorel, Emilie ^a   Kwong, Jason ^b   Maghames, Rosemary ^b   Mushi, Innocent ^b   Pike, Richard ^b   Sands, Zara A ^a   Smith, Myron A ^b   Stimson, Christopher C ^b   Courade, Jean Philippe ^a   more..

^a UCB PHARMA   (Belgium)

^b EVOTEC UK LTD   (United Kingdom)

^c CEM Microwave Technology Ltd   (United Kingdom)

Author keywords

CNS; co crystal structures; docking; Keap1; Nrf2; structure activity relationships

Indexed keywords

CARBOXYLIC ACID DERIVATIVE; CYCLOHEXANE DERIVATIVE; ISOINDOLE DERIVATIVE; ISOQUINOLINE DERIVATIVE; NEUROPROTECTIVE AGENT; NRF2 KEAP1 COMPLEX INHIBITOR; UNCLASSIFIED DRUG; 2-(1-((1,3-DIOXO-2,3-DIHYDRO-1H-ISOINDOL-2-YL)METHYL)-1,2,3,4-TETRAHYDROISOQUINOLIN-2-CARBONYL)CYCLOHEXANE-1-CARBOXYLIC ACID; CYTOSKELETON PROTEIN; KEAP1 PROTEIN, HUMAN; KEAP1 PROTEIN, MOUSE; NFE2L2 PROTEIN, HUMAN; NFE2L2 PROTEIN, MOUSE; PHTHALIMIDE DERIVATIVE; SIGNAL PEPTIDE; SIGNAL TRANSDUCING ADAPTOR PROTEIN; TRANSCRIPTION FACTOR NRF2;

ARTICLE; BINDING AFFINITY; CRYSTAL STRUCTURE; CRYSTALLIZATION; DRUG CONFORMATION; DRUG DESIGN; DRUG PROTEIN BINDING; LIGAND BINDING; MOLECULAR DOCKING; MOLECULAR MODEL; PRIORITY JOURNAL; REACTION ANALYSIS; STRUCTURE ACTIVITY RELATION; X RAY CRYSTALLOGRAPHY; ANIMAL; ANTAGONISTS AND INHIBITORS; CHEMICAL STRUCTURE; CHEMISTRY; DOSE RESPONSE; HUMAN; MOUSE; SYNTHESIS;

ADAPTOR PROTEINS, SIGNAL TRANSDUCING; ANIMALS; CRYSTALLOGRAPHY, X-RAY; CYTOSKELETAL PROTEINS; DOSE-RESPONSE RELATIONSHIP, DRUG; HUMANS; INTRACELLULAR SIGNALING PEPTIDES AND PROTEINS; ISOQUINOLINES; MICE; MODELS, MOLECULAR; MOLECULAR STRUCTURE; NF-E2-RELATED FACTOR 2; PHTHALIMIDES; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84898008337     PISSN: 18607179     EISSN: 18607187     Source Type: Journal    
DOI: 10.1002/cmdc.201300525     Document Type: Article

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