Use of molecular modeling, docking, and 3D-QSAR studies for the determination of the binding mode of benzofuran-3-yl-(indol-3-yl) maleimides as GSK-3β inhibitors

Journal of Molecular Modeling

Volumn 15, Issue 12, 2009, Pages 1463-1479

  Kim, Ki Hwan ^a   Gaisina, Irina ^a   Gallier, Franck ^a   Holzle, Denise ^a   Blond, Sylvie Y ^a   Mesecar, Andrew ^a   Kozikowski, Alan P ^a  

^a UNIVERSITY OF ILLINOIS AT CHICAGO   (United States)

Author keywords

3D QSAR; Benzofuran 3 yl (indol 3 yl)maleimides; Binding mode; CoMFA; CoMSIA; Docking; GSK 3beta inhibitors; X ray

Indexed keywords

BENZOFURAN 3 YL (INDOL 3 YL)MALEIMIDE DERIVATIVE; GLYCOGEN SYNTHASE KINASE 3 INHIBITOR; GLYCOGEN SYNTHASE KINASE 3BETA; STAUROSPORINE; UNCLASSIFIED DRUG;

ARTICLE; COMPARATIVE MOLECULAR FIELD ANALYSIS; COMPARATIVE MOLECULAR SIMILARITY INDICES ANALYSIS; CONTROLLED STUDY; DRUG BINDING; DRUG POTENCY; ELECTRICITY; HYDROGEN BOND; IC 50; MOLECULAR DOCKING; MOLECULAR MODEL; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; X RAY CRYSTALLOGRAPHY;

GLYCOGEN SYNTHASE KINASE 3; LISINOPRIL; MALEIMIDES; MODELS, MOLECULAR; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 70350380677     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-009-0498-x     Document Type: Article

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