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  • Philippe Roche
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    In the last decade, the inhibition of protein-protein interactions (PPIs) has emerged from both academic and private research as a new way to modulate protein networks. Due to the implication of PPIs in numerous diseases, inhibitors of these original interactions are certainly the next generation of highly innovative drugs that will reach the market. However, in silico design of such compounds still remains challenging.
    My main research interests cover several aspects of protein-protein interactions :
    - Assessment of the Druggability of Protein-Protein Complexes (what makes a ppi a good target for drug discovery ?).
    - Design of focused libraries dedicated to protein-protein interactions (how good are available chemical librairies to search for pi inhibitors ?).
    - Structural dynamics of protein complex formation.


    INT3D Platform

    The INT-3D platform has been created at the beginning of 2008 by Dr. Xavier Morelli and Dr. Philippe Roche to answer to an increasing demand of the academic laboratories regarding molecular modeling (virtual mutagenesis mainly) and virtual screening (hit finding and hit to lead optimization).

    • Staff: X. Morelli (20%) - P. Roche (20%) - MJ. Basse (50%)
    Int3D website link



    2P2IDB is a hand-curated structural database dedicated to protein-protein interactions (PPIs) with known inhibitors that can be freely accessed at The detailed analysis of protein-protein and protein-inhibitor interfaces in terms of geometrical parameters, atom and residue properties, buried accessible surface area and other biophysical parameters has allowed us to extract some key interface descriptors to assess the druggability of protein-protein interactions.