Molecular Motions as a Drug Target: Mechanistic Simulations of Anthrax Toxin Edema Factor Function Led to the Discovery of Novel Allosteric Inhibitors

by Arnaud Blondel, Daniel Ladant, Leandro Martínez, Élodie Laine, Thérèse Malliavin
Published 2012-07-01

Analyzing In Silico the Relationship Between the Activation of the Edema Factor and Its Interaction With Calmodulin

by Irène Pitard, Irène Pitard, Irène Pitard, Damien Monet, Damien Monet, Damien Monet, Pierre L. Goossens, Arnaud Blondel, Arnaud Blondel, Thérèse E. Malliavin, Thérèse E. Malliavin
Published 2020-12-01

The Tip of the Four N-Terminal α-Helices of Clostridium sordellii Lethal Toxin Contains the Interaction Site with Membrane Phosphatidylserine Facilitating Small GTPases Glucosylati...

by Carolina Varela Chavez, Georges Michel Haustant, Bruno Baron, Patrick England, Alexandre Chenal, Serge Pauillac, Arnaud Blondel, Michel-Robert Popoff
Published 2016-03-01

Combined approaches for drug design points the way to novel proline racemase inhibitor candidates to fight Chagas' disease.

by Armand Berneman, Lory Montout, Sophie Goyard, Nathalie Chamond, Alain Cosson, Simon d'Archivio, Nicolas Gouault, Philippe Uriac, Arnaud Blondel, Paola Minoprio
Published 2013-01-01

Identification of novel leishmanicidal molecules by virtual and biochemical screenings targeting Leishmania eukaryotic translation initiation factor 4A.

by Emna Harigua-Souiai, Yosser Zina Abdelkrim, Imen Bassoumi-Jamoussi, Ons Zakraoui, Guillaume Bouvier, Khadija Essafi-Benkhadir, Josette Banroques, Nathan Desdouits, Hélène Munier-Lehmann, Mourad Barhoumi, N Kyle Tanner, Michael Nilges, Arnaud Blondel, Ikram Guizani
Published 2018-01-01

Designed mono- and di-covalent inhibitors trap modeled functional motions for Trypanosoma cruzi proline racemase in crystallography.

by Patricia de Aguiar Amaral, Delphine Autheman, Guilherme Dias de Melo, Nicolas Gouault, Jean-François Cupif, Sophie Goyard, Patricia Dutra, Nicolas Coatnoan, Alain Cosson, Damien Monet, Frederick Saul, Ahmed Haouz, Philippe Uriac, Arnaud Blondel, Paola Minoprio
Published 2018-10-01