Use of Molecular Modelling, Docking, and 3D-QSAR Studies for the Determination of the Binding Mode of 3-Benzofuranyl-4-indolyl-maleimides as GSK-3β Inhibitors

Molecular modelling and docking studies along with three-dimensional quantitative structure relationships (3D-QSAR) studies have been used to determine the correct binding mode of glycogen synthase kinase 3β (GSK-3β) inhibitors. The approaches of Comparative Molecular Field Analysis (CoMFA) and Comp...

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Bibliographische Detailangaben
Hauptverfasser: Kim, Ki Hwan, Gaisina, Irina, Gallier, Franck, Holzle, Denise, Blond, Sylvie Y., Mesecar, Andrew, Kozikowski, Alan P.
Format: Artigo
Sprache:Inglês
Veröffentlicht: 2009
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Article
Online Zugang:https://ncbi.nlm.nih.gov/pmc/articles/PMC2955516/
https://ncbi.nlm.nih.gov/pubmed/19440740
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s00894-009-0498-x
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