Rational design of protein-protein interaction inhibitors

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Protein-protein interactions are central to most biological processes and expected to represent an important class of drug targets near future. However, it remains challenging to design small-molecule inhibitors of protein-protein interaction, in part due to the lack of structural information of the small molecule-protein complexes. We recently identified S100 protein as a target protein of wrenchnolol which is a bioactive compound we found. Biological experiment revealed that the wrenchonolol inhibits the protein-protein interaction between S100 protein and its partner protein Annexin. In this project, we identified a crystallization condition of a complex between wrenchnolol and Annexin. Structural determination of the complex would permit the design of new wrenchnolol analogs with better activities.