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

  • Chem Commun (Camb). 2013 Oct 4;49(76):8468-70. doi: 10.1039/c3cc44612c.
Philipp Thiel  1 ,  Lars Röglin ,  Nicole Meissner ,  Sven Hennig ,  Oliver Kohlbacher ,  Christian Ottmann
Affiliations
  • 1. Chemical Genomics Centre of the Max Planck Society, Otto-Hahn-Straße 15, D-44227 Dortmund, Germany.
PMID: 23939230 DOI: 10.1039/c3cc44612c
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.

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