De Novo design of protein kinase inhibitors by in silico identification of hinge region-binding fragments

ACS Chemical Biology

Volumn 8, Issue 5, 2013, Pages 1044-1052

  Urich, Robert ^a   Wishart, Grant ^b   Kiczun, Michael ^b   Richters, André ^c   Tidten Luksch, Naomi ^a   Rauh, Daniel ^c   Sherborne, Brad ^b   Wyatt, Paul G ^a   Brenk, Ruth ^d  

^a UNIVERSITY OF DUNDEE   (United Kingdom)

^b MSD   (United Kingdom)

^c TU DORTMUND UNIVERSITY   (Germany)

^d JOHANNES GUTENBERG UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

PROTEIN KINASE INHIBITOR; CSK TYROSINE-PROTEIN KINASE; IMMEDIATE EARLY PROTEIN; MAP KINASE KINASE KINASE 7; MAP-KINASE-ACTIVATED KINASE 3; MITOGEN ACTIVATED PROTEIN KINASE KINASE KINASE; MOLECULAR LIBRARY; PROTEIN SERINE THREONINE KINASE; PROTEIN TYROSINE KINASE; SERUM-GLUCOCORTICOID REGULATED KINASE; SIGNAL PEPTIDE; SRPK1 PROTEIN, HUMAN;

ARTICLE; BINDING SITE; CRYSTALLIZATION; HINGE REGION; HYDROGEN BOND; MOLECULAR DOCKING; MOLECULAR LIBRARY; PHARMACOPHORE; PRIORITY JOURNAL; PROTEIN ANALYSIS; PROTEIN BINDING; X RAY CRYSTALLOGRAPHY; ANTAGONISTS AND INHIBITORS; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; DRUG DESIGN; METABOLISM; PHARMACOLOGY; PROTEIN CONFORMATION; SYNTHESIS;

BINDING SITES; COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; DRUG DESIGN; IMMEDIATE-EARLY PROTEINS; INTRACELLULAR SIGNALING PEPTIDES AND PROTEINS; MAP KINASE KINASE KINASES; MOLECULAR DOCKING SIMULATION; MOLECULAR STRUCTURE; PROTEIN CONFORMATION; PROTEIN KINASE INHIBITORS; PROTEIN-SERINE-THREONINE KINASES; SMALL MOLECULE LIBRARIES; SRC-FAMILY KINASES;

EID: 84878095568     PISSN: 15548929     EISSN: 15548937     Source Type: Journal    
DOI: 10.1021/cb300729y     Document Type: Article

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