Prediction and Validation of a Druggable Site on Virulence Factor of Drug Resistant Burkholderia Cenocepacia

We use a virtual screening approach to explore the binding pocket close to the fucose binding site in a lectin from opportunistic pathogen. This is a novel approach for designing anti-adhesive drugs, and it has been very successful since we were able to obtain leads with sub millimolar affinity. Furthermore, the crystal structure of the target protein complexed with the fragment validated the existence of this secondary binding site, opening route for new design of inhibitors