Novel inverse binding mode of indirubin derivatives yields improved selectivity for DYRK kinases

ACS Medicinal Chemistry Letters

Volumn 4, Issue 1, 2013, Pages 22-26

  Myrianthopoulos, Vassilios ^a   Kritsanida, Marina ^a   Gaboriaud Kolar, Nicolas ^a   Magiatis, Prokopios ^a   Ferandin, Yoan ^b   Durieu, Emilie ^b   Lozach, Olivier ^b   Cappel, Daniel ^c   Soundararajan, Meera ^d   Filippakopoulos, Panagis ^d   Sherman, Woody ^c   Knapp, Stefan ^d   Meijer, Laurent ^b,e   Mikros, Emmanuel ^a   Skaltsounis, Alexios Leandros ^a  

^a UNIVERSITY OF ATHENS   (Greece)

^b STATION BIOLOGIQUE   (France)

^c SCHRÖDINGER INC   (United States)

^d UNIVERSITY OF OXFORD   (United Kingdom)

^e Centre de Perharidy   (France)

Author keywords

docking calculations; DYRK inhibitors; indirubins; kinase selectivity; pre mRNA splicing; WaterMap

Indexed keywords

BROMINE; CARBOXYLIC ACID DERIVATIVE; DUAL SPECIFICITY TYROSINE PHOSPHORYLATION REGULATED KINASE; INDIRUBIN; INDOLE DERIVATIVE; PROTEIN KINASE; UNCLASSIFIED DRUG;

ARTICLE; BINDING AFFINITY; BINDING SITE; CRYSTAL STRUCTURE; DRUG BINDING; DRUG DESIGN; DRUG SCREENING; DRUG SYNTHESIS; MOLECULAR MODEL; PRIORITY JOURNAL; STRUCTURE ACTIVITY RELATION; THERMODYNAMICS;

EID: 84872355664     PISSN: None     EISSN: 19485875     Source Type: Journal    
DOI: 10.1021/ml300207a     Document Type: Article

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