Issue 76, 2013
From the journal:

Chemical Communications

Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein–protein interactions†

Philipp Thiel,ab   Lars Röglin,a   Nicole Meissner,a   Sven Hennig,*a   Oliver Kohlbacher*b  and  Christian Ottmann*c  

* Corresponding authors

a Chemical Genomics Centre of the Max Planck Society, Otto-Hahn-Straße 15, D-44227 Dortmund, Germany

b Applied Bioinformatics, Center for Bioinformatics, Quantitative Biology Center, and Dept. of Computer Science, University of Tübingen, Sand 14, D-72076 Tübingen, Germany

c Molecular Cell and Structural Biology, Chemical Biology Section, Department of Biomedical Engineering, Eindhoven University of Technology, P.O. Box 513, Eindhoven, The Netherlands
E-mail: c.ottmann@tue.nl

Abstract

We report first non-covalent and exclusively extracellular inhibitors of 14-3-3 protein–protein interactions identified by virtual screening. Optimization by crystal structure analysis and in vitro binding assays yielded compounds capable of disrupting the interaction of 14-3-3σ with aminopeptidase N in a cellular assay.

Graphical abstract: Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein–protein interactions

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Article information

DOI
https://doi.org/10.1039/C3CC44612C
Article type
Communication
Submitted
19 Jun 2013
Accepted
24 Jul 2013
First published
25 Jul 2013

Chem. Commun., 2013,49, 8468-8470

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Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein–protein interactions

P. Thiel, L. Röglin, N. Meissner, S. Hennig, O. Kohlbacher and C. Ottmann, Chem. Commun., 2013, 49, 8468 DOI: 10.1039/C3CC44612C

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