Pharmacophore and binding analysis of known and novel b-raf kinase inhibitors

Current Medicinal Chemistry

Volumn 21, Issue 17, 2014, Pages 1938-1955

  Baska, F ^a,b,c   Szabadkai, I ^b   Sipos, A ^a,b   Breza, N ^b   Szantai Kis C ^b   Kekesi L ^a,b   Garamvolgyi R ^b   Nemes, Z ^a,b   Neumann, L ^d   Torka, R ^e   Ullrich, A ^e   Keri G ^a,b   Orfi, L ^a,b  

^a SEMMELWEIS UNIVERSITY   (Hungary)

^b Vichem Chemie Research Ltd   (Hungary)

^c SZENT ISTVÁN UNIVERSITY   (Hungary)

^d PROTEROS BIOSTRUCTURES GMBH   (Germany)

^e MAX PLANCK INSTITUTE OF BIOCHEMISTRY   (Germany)

Author keywords

B RAF; Binding mode; Docking; Kinase assay; Kinase inhibitor; Kinetic profiling

Indexed keywords

2 [4 (1 HYDROXYIMINO 5 INDANYL) 3 (4 PYRIDINYL) 1H PYRAZOL 1 YL]ETHANOL; 2 [4 (2 DIMETHYLAMINOETHOXY)PHENYL] 4 (1 HYDROXYIMINO 5 INDANYL) 5 (4 PYRIDINYL) 1H IMIDAZOLE; AZ 628; B RAF KINASE INHIBITOR; CHIR 265; DABRAFENIB; DORAMAPIMOD; N [3 (5 CHLORO 1H PYRROLO[2,3 B]PYRIDINE 3 CARBONYL) 2,4 DIFLUOROPHENYL]PROPANESULFONAMIDE; PLX 3203; REGORAFENIB; SORAFENIB; TAK 632; UNCLASSIFIED DRUG; VEMURAFENIB; B RAF KINASE; MOLECULAR LIBRARY; PROTEIN BINDING; PROTEIN KINASE INHIBITOR;

ARTICLE; BINDING AFFINITY; COMPUTER MODEL; CONTROLLED STUDY; DRUG BINDING; DRUG BINDING SITE; HINGE REGION; HUMAN; HUMAN CELL; IC 50; IN VITRO STUDY; MOLECULAR DOCKING; PHARMACOPHORE; PROTEIN MOTIF; STRUCTURE ACTIVITY RELATION; ANIMAL; ANTAGONISTS AND INHIBITORS; CHEMISTRY; GENETICS; METABOLISM; MOLECULAR LIBRARY; MUTATION; PHARMACOLOGY; TUMOR CELL LINE;

ANIMALS; CELL LINE, TUMOR; HUMANS; MOLECULAR DOCKING SIMULATION; MUTATION; PROTEIN BINDING; PROTEIN KINASE INHIBITORS; PROTO-ONCOGENE PROTEINS B-RAF; SMALL MOLECULE LIBRARIES;

EID: 84899787305     PISSN: 09298673     EISSN: 1875533X     Source Type: Journal    
DOI: 10.2174/0929867321666140304152606     Document Type: Article

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