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Prodrugs as new therapies against Chagas disease: In vivo synergy between Trypanosoma cruzi proline racemase inhibitors and benznidazole
Guilherme Dias de Melo
,
Nicolas Coatnoan
,
Nicolas Gouault
,
Jean-François Cupif
,
Jacques Renault
,
et al.
Article dans une revue
hal-03504248v1
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Principal Component Analysis reveals correlation of cavities evolution and functional motions in proteins.
Nathan Desdouits
,
Michael Nilges
,
Arnaud Blondel
Article dans une revue
pasteur-01133364v1
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Tyrosine 319 in the interdomain B of ZAP-70 is a binding site for the Src homology 2 domain of Lck.
M. Pelosi
,
V. Di Bartolo
,
V. Mounier
,
D. Mège
,
J. M. Pascussi
,
et al.
Article dans une revue
hal-00138125v1
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Use of allostery to identify inhibitors of calmodulin-induced activation of Bacillus anthracis edema factor
E. Laine
,
C. Goncalves
,
J. C. Karst
,
Aurélien Lesnard
,
Sylvain Rault
,
et al.
Proceedings of the National Academy of Sciences of the United States of America, 2010, 107 (25), pp.11277 - 11282. ⟨10.1073/pnas.0914611107⟩
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pasteur-01501815v1
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3D structures of the Plasmodium vivax subtilisin-like drug target SUB1 reveal conformational changes to accommodate a substrate-derived α-ketoamide inhibitor
Mariano Martinez
,
Fernando A Batista
,
Manon Maurel
,
Anthony Bouillon
,
Laura Ortega Varga
,
et al.
Article dans une revue
pasteur-04158872v1
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Analyzing in silico the relationship between the activation of the edema factor and its interaction with calmodulin
Irène Pitard
,
Damien Monet
,
Pierre L Goossens
,
Arnaud Blondel
,
Thérèse E Malliavin
Article dans une revue
pasteur-02999615v2
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Impact of M36I polymorphism on the interaction of HIV-1 protease with its substrates: insights from molecular dynamics.
Mauricio Gs Costa
,
Técio G Benetti-Barbosa
,
Nathan Desdouits
,
Arnaud Blondel
,
Paulo M Bisch
,
et al.
Article dans une revue
pasteur-01402879v1
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Molecular motions as a drug target: mechanistic simulations of anthrax toxin edema factor function led to the discovery of novel allosteric inhibitors.
Elodie Laine
,
Leandro Martínez
,
Daniel Ladant
,
Thérèse Malliavin
,
Arnaud Blondel
Article dans une revue
pasteur-01459064v1
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A highly sensitive cell-based luciferase assay for high-throughput automated screening of SARS-CoV-2 nsp5/3CLpro inhibitors
K.Y. Chen
,
T. Krischuns
,
L. Ortega Varga
,
E. Harigua-Souiai
,
S. Paisant
,
et al.
Article dans une revue
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Virtual Screening in Hepatitis B Virus Drug Discovery: Current Stateof- the-Art and Future Perspectives
Mohcine Elmessaoudi-Idrissi
,
Arnaud Blondel
,
Anass Kettani
,
Marc P Windisch
,
Soumaya Benjelloun
,
et al.
Article dans une revue
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Identification of binding sites and favorable ligand binding moieties by virtual screening and self-organizing map analysis.
Emna Harigua-Souiai
,
Isidro Cortes-Ciriano
,
Nathan Desdouits
,
Thérèse E Malliavin
,
Ikram Guizani
,
et al.
Article dans une revue
pasteur-01144936v1
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Enzymatic and Molecular Characterization of Anti-Leishmania Molecules That Differently Target Leishmania and Mammalian eIF4A Proteins, LieIF4A and eIF4AMus
Yosser Zina Abdelkrim
,
Emna Harigua-Souiai
,
Imen Bassoumi-Jamoussi
,
Mourad Barhoumi
,
Josette Banroques
,
et al.
Article dans une revue
hal-03813436v1
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The catalytic domains of C lostridium sordellii lethal toxin and related large clostridial glucosylating toxins specifically recognize the negatively charged phospholipids phosphatidylserine and phosphatidic acid
Carolina Varela Chavez
,
Sylviane Hoos
,
Georges Michel Haustant
,
Alexandre Chenal
,
Patrick England
,
et al.
Article dans une revue
pasteur-01400914v1
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mkgridXf : Consistent Identification of Plausible Binding Sites Despite the Elusive Nature of Cavities and Grooves in Protein Dynamics
Damien Monet
,
Nathan Desdouits
,
Michael Nilges
,
Arnaud Blondel
Article dans une revue
pasteur-02503276v1
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Bacterial intracellularly active toxins: Membrane localisation of the active domain
Carolina Varela-Chavez
,
Arnaud Blondel
,
Michel Popoff
Article dans une revue
pasteur-03261443v1
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Drug Discovery Targeting Amino Acid Racemases
Paola Conti
,
Lucia Tamborini
,
Andrea Pinto
,
Arnaud Blondel
,
Paola Minoprio
,
et al.
Article dans une revue
pasteur-02510858v1
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Functional Motions Modulating VanA Ligand Binding Unraveled by Self-Organizing Maps
Guillaume Bouvier
,
Nathalie Duclert-Savatier
,
Nathan Desdouits
,
Djalal Meziane-Cherif
,
Arnaud Blondel
,
et al.
Article dans une revue
pasteur-02510864v1
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Designed mono- and di-covalent inhibitors trap modeled functional motions for Trypanosoma cruzi proline racemase in crystallography
Patricia de Aguiar Amaral
,
Delphine Autheman
,
Guilherme Dias de Melo
,
Nicolas Gouault
,
Jean-François Cupif
,
et al.
Article dans une revue
hal-01935360v1
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Activation of the Edema Factor of Bacillus anthracis by Calmodulin: Evidence of an Interplay between the EF-Calmodulin Interaction and Calcium Binding
Elodie Laine
,
Leandro Martínez
,
Arnaud Blondel
,
Thérèse Malliavin
Article dans une revue
pasteur-02510853v1
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The Tip of the Four N-Terminal α-Helices of Clostridium sordellii Lethal Toxin Contains the Interaction Site with Membrane Phosphatidylserine Facilitating Small GTPases Glucosylation
Carolina Varela Chavez
,
Georges Haustant
,
Bruno Baron
,
Patrick England
,
Alexandre Chenal
,
et al.
Article dans une revue
pasteur-01406497v1
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Identification of Cinnamic Acid Derivatives As Novel Antagonists of the Prokaryotic Proton-Gated Ion Channel GLIC
Marie S. Prevost
,
Sandrine Delarue-Cochin
,
Justine Marteaux
,
Claire Colas
,
Catherine van Renterghem
,
et al.
Article dans une revue
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The steroid derivative 6-aminocholestanol inhibits the DEAD-box helicase eIF4A (LieIF4A) from the Trypanosomatid parasite Leishmania by perturbing the RNA and ATP binding sites
Yosser Zina Abdelkrim
,
Emna Harigua-Souiai
,
Mourad Barhoumi
,
Josette Banroques
,
Arnaud Blondel
,
et al.
Article dans une revue
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Identification of novel leishmanicidal molecules by virtual and biochemical screenings targeting Leishmania eukaryotic translation initiation factor 4A
Emna Harigua-Souiai
,
Yosser Zina Abdelkrim
,
Imen Bassoumi-Jamoussi
,
Ons Zakraoui
,
Guillaume Bouvier
,
et al.
Article dans une revue
pasteur-01968424v1
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Discrimination of agonists versus antagonists of nicotinic ligands based on docking onto AChBP structures.
Antoine Taly
,
Claire Colas
,
Thérèse Malliavin
,
Arnaud Blondel
,
Michael Nilges
,
et al.
Article dans une revue
pasteur-01459822v1
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Mechanism of reactant and product dissociation from the anthrax edema factor: A locally enhanced sampling and steered molecular dynamics study
Leandro Martínez
,
Thérèse Malliavin
,
Arnaud Blondel
Article dans une revue
istex
pasteur-02510854v1
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An automatic tool to analyze and cluster macromolecular conformations based on self-organizing maps.
Guillaume Bouvier
,
Nathan Desdouits
,
Mathias Ferber
,
Arnaud Blondel
,
Michael Nilges
Article dans une revue
pasteur-01145388v1
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Combined approaches for drug design points the way to novel proline racemase inhibitor candidates to fight Chagas' disease.
Armand Berneman
,
Lory Montout
,
Sophie Goyard
,
Nathalie Chamond
,
Alain Cosson
,
et al.
Article dans une revue
hal-00833388v1
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