Structural Features Underlying Selective Inhibition of GSK3β by Dibromocantharelline: Implications for Rational Drug Design

Chemical Biology and Drug Design

Volumn 77, Issue 3, 2011, Pages 199-205

  Zhang, Na ^a   Zhong, Rugang ^a   Yan, Hong ^a   Jiang, Yongjun ^b  

^a BEIJING UNIVERSITY OF TECHNOLOGY   (China)

^b ZHEJIANG UNIVERSITY   (China)

Author keywords

Drug design; Glycogen synthesis kinase 3 ; Molecular docking; Molecular dynamics simulations; Selectivity

Indexed keywords

ASPARAGINE; CYCLIN DEPENDENT KINASE 2; CYCLIN DEPENDENT KINASE 5; CYSTEINE; DIBROMOCANTHARELLINE; GLYCOGEN SYNTHASE KINASE 3 INHIBITOR; GLYCOGEN SYNTHASE KINASE 3BETA; HYMENIALDISINE; UNCLASSIFIED DRUG;

ARTICLE; AUTODOCK; BINDING SITE; CONTROLLED STUDY; CRYSTAL STRUCTURE; DRUG BINDING; DRUG DESIGN; DRUG SELECTIVITY; DRUG STRUCTURE; ENZYME BINDING; ENZYME STRUCTURE; FLEXX; GENETIC ALGORITHM; GENETIC OPTIMIZATION FOR LIGAND DOCKING; IC 50; MOLECULAR DOCKING; MOLECULAR DYNAMICS; PRIORITY JOURNAL; STATIC ELECTRICITY; STEREOCHEMISTRY;

AMINO ACID SEQUENCE; ANIMALS; AZEPINES; BINDING SITES; CYCLIN-DEPENDENT KINASE 2; CYCLIN-DEPENDENT KINASE 5; DRUG DESIGN; GLYCOGEN SYNTHASE KINASE 3; INDOLE ALKALOIDS; MOLECULAR DYNAMICS SIMULATION; MOLECULAR SEQUENCE DATA; PORIFERA; PROTEIN KINASE INHIBITORS; PYRROLES; SOFTWARE;

EID: 79651469242     PISSN: 17470277     EISSN: 17470285     Source Type: Journal    
DOI: 10.1111/j.1747-0285.2010.01069.x     Document Type: Article

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