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Number of documents

55

CV Ronan Bureau HAL

Current position:

Full Professor (PREX2), University of Caen Normandie

Main topics : Chemoinformatic, Bioinformatic, Drug design

University:

1990           PhD in chemistry, University of Rennes 1.

1991           Post-doctoral fellow, University of Nagoya (Japan).

1992           Post-doctoral fellow, QSAR (Quantitative Structure Activity Relationship) / Molecular modeling / Structural bioinformatics, University of Caen.

1996           Accreditation to supervise research (HDR), 1996.

Position:

-     Associate professor in biophysics and molecular modelling, 1992, UFR Sciences Pharmaceutiques, University of Caen (France).

-     Full professor in molecular modeling, 2002, UFR Sciences Pharmaceutiques, University of Caen (France).

Activities and responsabilities:

-     Creation of the molecular modeling department in CERMN (1996). Current supervisor of a team with two professor and one associate professor.

-     Associated director of the CERMN (since 2008).

-     Director of 14 theses (PhD) and more than 25 Master degree students.

-     President of the French Society of Chemoinformatics (during 4 years).

-     Authors of 97 publications (www.cermn.unicaen.fr), 158 communications (posters), 62 oral communications and conferences.

Journal articles40 documents

  • Damien Geslin, Alban Lepailleur, Jean-Luc Manguin, Nhat-Vinh Vo, Jean-Luc Lamotte, et al.. Deciphering a Pharmacophore Network: A Case Study Using BCR-ABL Data. Journal of Chemical Information and Modeling, American Chemical Society, 2022, 62 (3), pp.678-691. ⟨10.1021/acs.jcim.1c00427⟩. ⟨hal-03658524⟩
  • Camille Denis, Maryne Dubois, Anne-Sophie Voisin-Chiret, Ronan Bureau, Chulho Choi, et al.. Synthesis of 3,3-Diarylazetidines by Calcium(II)-Catalyzed Friedel–Crafts Reaction of Azetidinols with Unexpected Cbz Enhanced Reactivity. Organic Letters, American Chemical Society, 2019, 21 (1), pp.300-304. ⟨10.1021/acs.orglett.8b03745⟩. ⟨hal-02043642⟩
  • Laetitia Minguez, Ronan Bureau, Marie-Pierre Halm-Lemeille. Joint effects of nine antidepressants on Raphidocelis subcapitata and Skeletonema marinoi : A matter of amine functional groups. Aquatic Toxicology, Elsevier, 2018, 196, pp.117 - 123. ⟨10.1016/j.aquatox.2018.01.015⟩. ⟨hal-01800709⟩
  • Siham Hedir, Marcella de Giorgi, Jade Fogha, Martina de Pascale, Louis-Bastien Weiswald, et al.. Structure-guided design of pyridoclax derivatives based on Noxa / Mcl-1 interaction mode. European Journal of Medicinal Chemistry, Elsevier, 2018, 159, pp.357-380. ⟨10.1016/j.ejmech.2018.10.003⟩. ⟨inserm-01980723⟩
  • Jean-Philippe Metivier, Bertrand Cuissart, Ronan Bureau, Alban Lepailleur. The Pharmacophore Network: A Computational Method for Exploring Structure–Activity Relationships from a Large Chemical Data Set. Journal of Medicinal Chemistry, American Chemical Society, 2018, 61 (8), pp.3551-3564. ⟨10.1021/acs.jmedchem.7b01890⟩. ⟨hal-02043686⟩
  • Jérôme Leprince, Didier Bagnol, Ronan Bureau, Shoji Fukusumi, Riccarda Granata, et al.. The Arg-Phe-amide peptide 26RFa/glutamine RF-amide peptide and its receptor: IUPHAR Review 24. British Journal of Pharmacology, Wiley, 2017, 174 (20), pp.3573-3607. ⟨10.1111/bph.13907⟩. ⟨hal-01972620⟩
  • Jade Fogha, Bogdan Marekha, Marcella de Giorgi, Anne-Sophie Voisin-Chiret, Sylvain Rault, et al.. Toward Understanding Mcl-1 Promiscuous and Specific Binding Mode. Journal of Chemical Information and Modeling, American Chemical Society, 2017, 57 (11), pp.2885-2895. ⟨10.1021/acs.jcim.7b00396⟩. ⟨hal-02043710⟩
  • Julien Rabatel, Fannes Thomas, Alban Lepailleur, Jérémie Le Goff, Bruno Crémilleux, et al.. Non a Priori Automatic Discovery of 3D Chemical Patterns: Application to Mutagenicity. Molecular Informatics, Wiley-VCH, 2017, Special Issue: Chemoinformatics in France, 36 (10), ⟨10.1002/minf.201700022⟩. ⟨hal-01576894⟩
  • Guillaume Poezevara, Sylvain Lozano, Bertrand Cuissart, Ronan Bureau, Pierre Bureau, et al.. A Computational Selection of Metabolite Biomarkers Using Emerging Pattern Mining: A Case Study in Human Hepatocellular Carcinoma. Journal of Proteome Research, American Chemical Society, 2017, 16 (6), pp.2240-2249. ⟨10.1021/acs.jproteome.7b00054⟩. ⟨hal-01576908⟩
  • Elke Haensele, Nawel Mele, Marija Miljak, Christopher Read, David Whitley, et al.. Conformation and Dynamics of Human Urotensin II and Urotensin Related Peptide in Aqueous Solution. Journal of Chemical Information and Modeling, American Chemical Society, 2017, 57 (2), pp.298-310. ⟨10.1021/acs.jcim.6b00706⟩. ⟨hal-02043740⟩
  • Villain Jonathan, Latitia Minguez, Marie-Pierre Halm-Lemeille, Gilles Durrieu, Ronan Bureau. Acute toxicities of pharmaceuticals toward green algae. mode of action, biopharmaceutical drug disposition classification system and quantile regression models. Ecotoxicology and Environmental Safety, Elsevier, 2016, 124, pp.337-343. ⟨10.1016/j.ecoenv.2015.11.009⟩. ⟨hal-01262279⟩
  • Noureldin Saleh, Giorgio Saladino, Francesco Gervasio, Elke Haensele, Lee Banting, et al.. A Three-Site Mechanism for Agonist/Antagonist Selective Binding to Vasopressin Receptors. Angewandte Chemie International Edition, Wiley-VCH Verlag, 2016, 55 (28), pp.8008-8012. ⟨10.1002/ange.201602729⟩. ⟨hal-02043755⟩
  • Céline Gloaguen, Anne-Sophie Voisin-Chiret, Jana Sopkova-de Oliveira Santos, Jade Fogha, Fabien Gautier, et al.. First Evidence That Oligopyridines, α-Helix Foldamers, Inhibit Mcl-1 and Sensitize Ovarian Carcinoma Cells to Bcl-x L -Targeting Strategies. Journal of Medicinal Chemistry, American Chemical Society, 2015, 58 (4), pp.1644-1668. ⟨10.1021/jm500672y⟩. ⟨hal-02043913⟩
  • Raja Rezg, Bessem Mornagui, Jana Sopkova-de Oliveira Santos, Fabienne Dulin, Saloua El-Fazaa, et al.. Protective effects of caffeic acid against hypothalamic neuropeptides alterations induced by malathion in rat. Environmental Science and Pollution Research, Springer Verlag, 2015, 22 (8), pp.6198-6207. ⟨10.1007/s11356-014-3824-5⟩. ⟨hal-02045966⟩
  • Jean-Philippe Metivier, Alban Lepailleur, Aleksey Buzmakov, Guillaume Poezevara, Bruno Crémilleux, et al.. Discovering structural alerts for mutagenicity using stable emerging molecular patterns. Journal of Chemical Information and Modeling, American Chemical Society, 2015, 55 (5), pp.925--940. ⟨10.1021/ci500611v⟩. ⟨hal-01186716⟩
  • Alban Lepailleur, Ronan Bureau, Marie-Pierre Halm-Lemeille, Michel Bouquet, Regis Pecquet, et al.. Assessment of the genotoxic and carcinogenic potentials of 3-aminothiophene derivatives using in vitro and in silico methodologies. Journal of Applied Toxicology, Wiley, 2014, 34 (7), pp.775-786. ⟨10.1002/jat.2938⟩. ⟨hal-01077085⟩
  • Marie-Pierre Halm-Lemeille, Abbaszadeh Fard Elham, Thomas Latire, Jean-Francois Ferard, Katherine Costil, et al.. The effect of different polychlorinated biphenyls on two aquatic models, the green alga Pseudokirchneriella subcapitata and the haemocytes from the European abalone Haliotis tuberculata. Chemosphere, Elsevier, 2014, 110, pp.120-128. ⟨10.1016/j.chemosphere.2014.02.023⟩. ⟨hal-01076671⟩
  • Laetitia Minguez, Marie-Pierre Halm-Lemeille, Katherine Costil, Ronan Bureau, Jean-Marc Lebel, et al.. Assessment of cytotoxic and immunomodulatory properties of four antidepressants on primary cultures of abalone hemocytes (Haliotis tuberculata). Aquatic Toxicology, Elsevier, 2014, 153, pp.3 - 11. ⟨10.1016/j.aquatox.2013.10.020⟩. ⟨hal-01800718⟩
  • Fabienne Dulin, Céline Zatylny-Gaudin, Céline Ballandonne, Bertrand Guillet, Romain Bonafos, et al.. Protecting honey bees: identification of a new varroacide by in silico, in vitro, and in vivo studies.. Parasitology Research, Springer Verlag (Germany), 2014, pp.113, 4601-4610. ⟨hal-01116481⟩
  • Alban Lepailleur, Thomas Freret, Stéphane Lemaître, Michel Boulouard, François Dauphin, et al.. Dual Histamine H3R/Serotonin 5-HT4R Ligands with Antiamnesic Properties: Pharmacophore-Based Virtual Screening and Polypharmacology.. Journal of Chemical Information and Modeling, American Chemical Society, 2014, 54 (6), pp.1773-1784. ⟨hal-01064770⟩
  • Jonathan Villain, Gilles Durrieu, Ronan Bureau, Marie-Pierre Halm-Lemeille, Sylvain Lozano. Quantile regression model for a diverse set of chemicals: Application to acute toxicity for green algae. Journal of Molecular Modeling, Springer Verlag (Germany), 2014, in press. ⟨hal-01074269⟩
  • Laetitia Minguez, Emilie Farcy, Céline Ballandonne, Alban Lepailleur, Antoine Serpentini, et al.. Acute toxicity of 8 antidepressants: What are their modes of action?. Chemosphere, Elsevier, 2014, 108, pp.314 - 319. ⟨10.1016/j.chemosphere.2014.01.057⟩. ⟨hal-01800717⟩
  • Cindy Neveu, Fabienne Dulin, Benjamin Lefranc, Ludovic Galas, Colas Calbrix, et al.. Molecular basis of agonist docking in a human GPR103 homology model by site-directed mutagenesis and structure-activity relationship studies. British Journal of Pharmacology, Wiley, 2014, 171 (19), pp.4425-4439. ⟨10.1111/bph.12808⟩. ⟨hal-01973604⟩
  • Alban Lepailleur, Guillaume Poezevara, Ronan Bureau. Automated detection of structural alerts (chemical fragments) in (eco)toxicology. Computational and Structural Biotechnology Journal, Elsevier, 2013, 5 (6), pp.e201302013. ⟨10.5936/csbj.201302013⟩. ⟨hal-01023826⟩
  • Fabienne Dulin, Marie-Pierre Halm-Lemeille, Sylvain Lozano, Alban Lepailleur, Jana Sopkova-de Oliveira Santos, et al.. Corrigendum to “Interpretation of honeybees contact toxicity associated to acetylcholinesterase inhibitors” [Ecotoxicol. Environ. Saf. 79 (2012) 13–21]. Ecotoxicology and Environmental Safety, Elsevier, 2013, 90, pp.183-184. ⟨hal-02045963⟩
  • Fabienne Dulin, Marie-Pierre Halm-Lemeille, Sylvain Lozano, Alban Lepailleur, Jana Sopkova-de Oliveira Santos, et al.. Interpretation of honeybees contact toxicity associated to acetylcholinesterase inhibitors. Ecotoxicology and Environmental Safety, Elsevier, 2012, 79, pp.13-21. ⟨hal-00764808⟩
  • Jana Sopkova-de Oliveira Santos, Anne-Sophie Voisin-Chiret, Grégory Burzicki, Laure Sebaoun, Muriel Sebban, et al.. Structural characterizations of oligopyridyl foldamers, α-helix mimetics. Journal of Chemical Information and Modeling, American Chemical Society, 2012, 52 (2), pp.429-439. ⟨10.1021/ci200424a⟩. ⟨hal-00996400⟩
  • Jana Sopkova-de Oliveira Santos, Aurélien Lesnard, Jean-Hugues Agondanou, Nathalie Dupont, Anne-Marie Godard, et al.. Virtual Screening Discovery of New Acetylcholinesterase Inhibitors Issued from CERMN Chemical Library. Journal of Chemical Information and Modeling, American Chemical Society, 2010, 50 (3), pp.422-428. ⟨10.1021/ci900491t⟩. ⟨hal-00705935⟩
  • Nicolas Houllier, Marie-Claire Lasne, Ronan Bureau, Pierre Lestage, Jacques Rouden. Synthesis of a cytisine/epibatidine hybrid: a radical approach. Tetrahedron, Elsevier, 2010, 66 (47), pp.9231-9241. ⟨hal-02045914⟩
  • Sylvain Lozano, Guillaume Poezevara, Marie-Pierre Halm, Elodie Lescot-Fontaine, Alban Lepailleur, et al.. Introduction of jumping fragments in combination with QSARs for the assessment of classification in ecotoxicology. Journal of Chemical Information and Modeling, American Chemical Society, 2010, 50 (8), pp.1330-1339. ⟨hal-01011322⟩
  • Sylvain Lozano, Elodie Lescot, Marie-Pierre Halm, Alban Lepailleur, Ronan Bureau, et al.. Prediction of acute toxicity in fish by using QSAR methods and chemical modes of action. Journal of Enzyme Inhibition and Medicinal Chemistry, Informa Healthcare, 2010, 25 (2), pp.195-203. ⟨10.3109/14756360903169857⟩. ⟨hal-02045937⟩
  • Ronan Bureau, Michel Boulouard, François Dauphin, Frank Lezoualc'H, Sylvain Rault. Review of 5-HT4R ligands: state of art and clinical applications.. Current Topics in Medicinal Chemistry, Bentham Science Publishers, 2010, 10 (5), pp.527-53. ⟨hal-00863093⟩
  • Sylvain Lozano, Marie-Pierre Halm-Lemeille, Alban Lepailleur, Sylvain Rault, Ronan Bureau. Consensus QSAR Related to Global or MOA Models: Application to Acute Toxicity for Fish. Molecular Informatics, Wiley-VCH, 2010, 29 (11), pp.803-813. ⟨hal-02045936⟩
  • Alban Lepailleur, Stéphane Lemaître, Xiao Feng, Jana Sopkova-de Oliveira Santos, Philippe Delagrange, et al.. Receptor- and Ligand-Based Study on Novel 2,2′-Bithienyl Derivatives as Non-Peptidic AANAT Inhibitors. Journal of Chemical Information and Modeling, American Chemical Society, 2010, 50 (3), pp.446-460. ⟨hal-02045919⟩
  • Stéphane Lemaître, Alban Lepailleur, Ronan Bureau, Sabrina Butt-Gueulle, Véronique Lelong-Boulouard, et al.. Novel antagonists of serotonin-4 receptors: synthesis and biological evaluation of pyrrolothienopyrazines.. Bioorganic and Medicinal Chemistry, Elsevier, 2009, 17 (6), pp.2607-22. ⟨10.1016/j.bmc.2008.11.045⟩. ⟨hal-00863300⟩
  • Christophe Rochais, Nghia Vu Duc, Elodie Lescot, Jana Sopkova-de Oliveira Santos, Ronan Bureau, et al.. Synthesis of new dipyrrolo- and furopyrrolopyrazinones related to tripentones and their biological evaluation as potential kinases (CDKs1-5, GSK-3) inhibitors.. European Journal of Medicinal Chemistry, Elsevier, 2008, epub ahead of print. ⟨10.1016/j.ejmech.2008.05.011⟩. ⟨hal-00319802⟩
  • Thibault Varin, Nicolas Saettel, Jonathan Villain, Aurélien Lesnard, François Dauphin, et al.. 3D Pharmacophore, hierarchical methods, and 5-HT4 receptor binding data.. Journal of Enzyme Inhibition and Medicinal Chemistry, Informa Healthcare, 2008, 23 (5), pp.593-603. ⟨10.1080/14756360802204748⟩. ⟨hal-00863343⟩
  • Jose Lopez-Atalaya, Benoit Roussel, Denis Levrat, Jerome Parcq, Olivier Nicole, et al.. Toward Safer Thrombolytic Agents in Stroke: Molecular Requirements for NMDA Receptor-Mediated Neurotoxicity. Journal of Cerebral Blood Flow and Metabolism, Nature Publishing Group, 2008, 28 (6), pp.1212-1221. ⟨10.1038/jcbfm.2008.14⟩. ⟨hal-01972984⟩
  • Magalie Paillet-Loilier, Frédéric Fabis, Alban Lepailleur, Ronan Bureau, Sabrina Butt-Gueulle, et al.. Novel aminoethylbiphenyls as 5-HT7 receptor ligands.. Bioorganic and Medicinal Chemistry Letters, Elsevier, 2007, 17 (11), pp.3018-22. ⟨10.1016/j.bmcl.2007.03.054⟩. ⟨hal-00865224⟩
  • Elodie Lescot, Jana Sopkova-de Oliveira Santos, Christophe Dubessy, Hassan Oulyadi, Aurélien Lesnard, et al.. Definition of New Pharmacophores for Nonpeptide Antagonists of Human Urotensin-II. Comparison with the 3D-structure of Human Urotensin-II and URP. Journal of Chemical Information and Modeling, American Chemical Society, 2007, 47 (2), pp.602-612. ⟨10.1021/ci6003948⟩. ⟨hal-02179719⟩

Conference papers5 documents

  • Maksim Koptelov, Albrecht Zimmermann, Pascal Bonnet, Ronan Bureau, Bruno Crémilleux. PrePeP – A Tool for the Identification and Characterization of Pan Assay Interference Compounds. 24th ACM SIGKDD International Conference on Knowledge Discovery & Data Mining, Aug 2018, Londres, United Kingdom. pp.462-471, ⟨10.1145/3219819.3219849⟩. ⟨hal-01939468⟩
  • Jonathan Villain, Ronan Bureau, Gilles Durrieu. Quantile de régression : application à l'analyse de l'écotoxicité de molécules chimiques. 46èmes Journées de Statistique, Jun 2014, Rennes, France. ⟨hal-01074920⟩
  • Leander Schietgat, Bertrand Cuissart, Alban Lepailleur, Kurt de Grave, Bruno Crémilleux, et al.. Comparing chemical fingerprints for ecotoxicology. 6èmes journées de la Société Française de Chémoinformatique, Oct 2013, Nancy, France. ⟨hal-01023845⟩
  • Villain Jonathan, Sylvain Lozano, Marie-Pierre Halm, Alban Lepailleur, Gilles Durrieu, et al.. Définition of a global model to determine the ecotoxicity of chemical on algea. 6ème journées de la société française de chemoinformatique, Oct 2013, Nancy, France. ⟨hal-01266109⟩
  • Leander Schietgat, Guillaume Poezevara, Ryan Bissell-Siders, Ronan Bureau, Bruno Crémilleux, et al.. New measures of interest associated to chemical patterns: definition, implementation and experimental assessment. 5èmes Journées de la Société Française de Chémoinformatique, Oct 2011, Cabourg, France. ⟨hal-01021453⟩

Poster communications2 documents

  • Karima Alim, Laure Guilhaudis, Isabelle Ségalas-Milazzo, David Vaudry, Julien Chuquet, et al.. Demonstration of the occurrence of a non-transmembrane -helix in the extracellular loop 2 of GPR103. Congrès du Groupe français des peptides et des protéines (GFPP, 19, 2015), May 2015, Port-Bail, France. ⟨hal-02543930⟩
  • Jean-Philippe Metivier, Alban Lepailleur, Aleksey Buzmakov, Guillaume Poezevara, Bruno Cremilleux, et al.. Découverte automatique de motifs chimiques associés à un profil d'activité : application pour la recherche de structures d'alertes en mutagénicité. 7èmes Journées de la Société Française de Chémoinformatique, Oct 2015, Nice, France. 2015. ⟨hal-01627308⟩

Book sections2 documents

  • Etienne Lehembre, Ronan Bureau, Bruno Crémilleux, Bertrand Cuissart, Jean-Luc Lamotte, et al.. Selecting Outstanding Patterns Based on Their Neighbourhood. Tassadit Bouadi; Elisa Fromont; Eyke Hüllermeier. Advances in Intelligent Data Analysis XX. 20th International Symposium on Intelligent Data Analysis, IDA 2022, Rennes, France, April 20–22, 2022, Proceedings, 13205, Springer International Publishing, pp.185-198, 2022, Lecture Notes in Computer Science, 978-3-031-01332-4. ⟨10.1007/978-3-031-01333-1_15⟩. ⟨hal-03658500⟩
  • Bertrand Cuissart, Guillaume Poezevara, Bruno Crémilleux, Alban Lepailleur, Ronan Bureau. Emerging Patterns as Structural Alerts for Computational Toxicology. Contrast Data Mining, James Bailey, chapitre 19, 2013, 978-1-4398-5432-7. ⟨10.1201/b12986-25⟩. ⟨hal-01024000⟩

Patents2 documents

  • Laurent Poulain, Anne-Sophie Voisin-Chiret, Jana Sopkova de Oliveira Santos, Ronan Bureau, Grégory Burzicki, et al.. Mcl-1 modulating compounds for cancer treatment. United States, Patent n° : US 20170071921 A1. 2019. ⟨inserm-02545394⟩
  • Laurent Poulain, Anne-Sophie Voisin-Chiret, Jana Sopkova de Oliveira Santos, Ronan Bureau, Grégory Burzicki, et al.. MCL-1 Modulating compounds for Cancer Treatment. France, Patent n° : WO 2015/132727. 2015. ⟨inserm-02545373⟩

Other publications4 documents

  • Guillaume Poezevara, Alban Lepailleur, Ronan Bureau, Lancelot Lemoine, Bertrand Cuissart, et al.. Knowledge Discovery in Pharmaceutical Drug Transport using Emerging Graph Patterns. 2014. ⟨hal-01024743⟩
  • Guillaume Poezevara, Alban Lepailleur, Sylvain Lozano, Alban Arrault, Bertrand Cuissart, et al.. Automatic Discovery of Molecular Graph Patterns Inhibiting Multiple Drug Transporters. 2014. ⟨hal-01024727⟩
  • Sylvain Lozano, Guillaume Poezevara, Bertrand Cuissart, Marie-Pierre Halm-Lemeille, Elodie Lescot-Fontaine, et al.. Assessement of chemical risk phrases in ecotoxicoloy: comparison of two methods. 2009. ⟨hal-01011345⟩
  • Sylvain Lozano, Guillaume Poezevara, Bertrand Cuissart, Marie-Pierre Halm-Lemeille, Elodie Lescot-Fontaine, et al.. Supervised classification and QSAR in ecotoxicology: comparison of two methods. 2009. ⟨hal-01016467⟩