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25sept2020.pdf (2.61 MB)

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

preprint
submitted on 25.09.2020 and posted on 25.09.2020 by Kanhaya Lal, Rafael Bermo, Jonathan Cramer, Francesca Vasile, Beat Ernst, Anne Imberty, Anna Bernardi, Annabelle Varrot, Laura Belvisi

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

Funding

Marie Skłodowska-Curie grant agreement No 765581.

ANR PIA Glyco@Alps (ANR-15-IDEX-02)

ANR PIA CBH-EUR-GS (ANR-17-EURE-0003).

History

Email Address of Submitting Author

anne.imberty@cermav.cnrs.fr

Institution

universite grenoble Alpes CNRS

Country

france

ORCID For Submitting Author

0000-0001-6825-9527

Declaration of Conflict of Interest

no

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