Computational insights for the discovery of non-atp competitive inhibitors of map kinases

Current Pharmaceutical Design

Volumn 18, Issue 9, 2012, Pages 1173-1185

  Schnieders, Michael J ^a   Kaoud, Tamer S ^b   Yan, Chunli ^a   Dalby, Kevin N ^b   Ren, Pengyu ^a,b  

^a The University of Texas at Austin   (United States)

^b UNIVERSITY OF TEXAS AT AUSTIN   (United States)

Author keywords

Dynamics; Inhibitor; Kinases; Map; Modeling; Non atp

Indexed keywords

4 (4 FLUOROPHENYL) 2 (4 METHYLSULFINYLPHENYL) 5 (4 PYRIDYL)IMIDAZOLE; ANTHRA[1,9 CD]PYRAZOL 6(2H) ONE; ASPARTIC ACID; AURORA B KINASE; AURORA C KINASE; CHECKPOINT KINASE 2; GLYCINE; ISOENZYME; MITOGEN ACTIVATED PROTEIN KINASE; MITOGEN ACTIVATED PROTEIN KINASE INHIBITOR; MITOGEN ACTIVATED PROTEIN KINASE P38; PHENYLALANINE; POLYCYSTIN 1; SCAFFOLD PROTEIN; STRESS ACTIVATED PROTEIN KINASE;

ALLOSTERISM; ARTICLE; AUTOPHOSPHORYLATION; BINDING AFFINITY; BINDING SITE; COMPETITIVE INHIBITION; COMPUTER MODEL; CRYSTAL STRUCTURE; DRUG DEVELOPMENT; DRUG SCREENING; ENZYME ACTIVATION; ENZYME ACTIVITY; ENZYME BINDING; ENZYME CONFORMATION; ENZYME KINETICS; ENZYME PHOSPHORYLATION; ENZYME POLYMORPHISM; ENZYME STRUCTURE; FLUORESCENCE; FLUORESCENCE ANALYSIS; HUMAN; HYDROGEN BOND; HYDROPHOBICITY; HYPEROSMOLARITY; MOLECULAR DYNAMICS; MOLECULAR MODEL; MOLECULE; POLARIZATION; PRIORITY JOURNAL; PROTEIN DOMAIN; PROTEIN INTERACTION; STATIC ELECTRICITY; STRUCTURE ANALYSIS; THEORY; THERMODYNAMICS; X RAY CRYSTALLOGRAPHY; X RAY DIFFRACTION;

ADENOSINE TRIPHOSPHATE; ANIMALS; COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; DRUG DELIVERY SYSTEMS; DRUG DESIGN; DRUG DISCOVERY; HUMANS; MITOGEN-ACTIVATED PROTEIN KINASES; PROTEIN KINASE INHIBITORS; SIGNAL TRANSDUCTION;

EID: 84857697885     PISSN: 13816128     EISSN: 18734286     Source Type: Journal    
DOI: 10.2174/138161212799436368     Document Type: Article

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