Publications

Publications

2019

  • Glupczynski Y, Evrard S, Huang TD, Bogaerts P. Evaluation of the RESIST-4 K-SeT assay, a multiplex immunochromatographic assay for the rapid detection of OXA-48-like, KPC, VIM and NDM carbapenemases. J Antimicrob Chemother. 2019 in press. doi: 10.1093/jac/dkz031.
  • Zavala A, Retailleau P, Elisée E, Iorga BI, Naas T. Genetic, Biochemical, and Structural Characterization of CMY-136 β-Lactamase, a Peculiar CMY-2 Variant. ACS Infect Dis. 2019 in press. doi: 10.1021/acsinfecdis.8b00240.
  • Chaput L, Selwa E, Elisée E, Iorga BI. Blinded evaluation of cathepsin S inhibitors from the D3RGC3 dataset using molecular docking and free energy calculations. J Comput Aided Mol Des. 2019 33(1):93-103. doi: 10.1007/s10822-018-0161-7.

2018

  • Raczynska JE, Shabalin IG, Minor W, Wlodawer A, Jaskolski M. A close look onto structural models and primary ligands of metallo-β-lactamases. Drug Resist Updat. 2018 40:1-12. doi: 10.1016/j.drup.2018.08.001.
  • Heron P, Abellán-Flos M, Salmon L, Sygusch J. Bisphosphonate inhibitors of mammalian glycolytic aldolase. J Med Chem. 2018 61(23):10558-10572. doi: 10.1021/acs.jmedchem.8b01000.
  • Bonnin RA, Bogaerts P, Girlich D, Huang TD, Dortet L, Glupczynski Y, Naas T. Molecular Characterization of OXA-198 Carbapenemase-Producing Pseudomonas aeruginosa Clinical Isolates. Antimicrob Agents Chemother. 2018 62(6):e02496-17. doi: 10.1128/AAC.02496-17.
  • Boutal H, Vogel A, Bernabeu S, Devilliers K, Creton E, Cotellon G, Plaisance M, Oueslati S, Dortet L, Jousset A, Simon S, Naas T, Volland H. A multiplex lateral flow immunoassay for the rapid identification of NDM-, KPC-, IMP- and VIM-type and OXA-48-like carbapenemase-producing Enterobacteriaceae. J Antimicrob Chemother. 2018 73(4):909-915. doi: 10.1093/jac/dkx521.
  • Dabos L, Bogaerts P, Bonnin RA, Zavala A, Sacré P, Iorga BI, Huang DT, Glupczynski Y, Naas T. Genetic and Biochemical Characterization of OXA-519, a Novel OXA-48-Like β-Lactamase. Antimicrob Agents Chemother. 2018 62(8):e00469-18. doi: 10.1128/AAC.00469-18.
  • Gauthier L, Dortet L, Cotellon G, Creton E, Cuzon G, Ponties V, Bonnin RA, Naas T. Diversity of Carbapenemase-Producing Escherichia coli Isolates in France in 2012-2013. Antimicrob Agents Chemother. 2018 62(8):e00266-18. doi: 10.1128/AAC.00266-18.
  • Girlich D, Bernabeu S, Grosperrin V, Langlois I, Begasse C, Arangia N, Creton E, Cotellon G, Sauvadet A, Dortet L, Naas T. Evaluation of the Amplidiag CarbaR+MCR Kit for Accurate Detection of Carbapenemase-Producing and Colistin-Resistant Bacteria. J Clin Microbiol. 2019 57(3):e01800-18. doi: 10.1128/JCM.01800-18.
  • Oueslati S, Girlich D, Dortet L, Naas T. Evaluation of the Amplidiag CarbaR+VRE Kit for Accurate Detection of Carbapenemase-Producing Bacteria. J Clin Microbiol. 2018 56(3):e01092-17. doi: 10.1128/JCM.01092-17.
  • Selwa E, Elisée E, Zavala A, Iorga BI. Blinded evaluation of farnesoid X receptor (FXR) ligands binding using molecular docking and free energy calculations. J Comput Aided Mol Des. 2018 32(1):273-286. doi: 10.1007/s10822-017-0054-1.
  • Selwa E, Kenney IM, Beckstein O, Iorga BI. SAMPL6: calculation of macroscopic pK(a) values from ab initio quantum mechanical free energies. J Comput Aided Mol Des. 2018 32(10):1203-1216. doi: 10.1007/s10822-018-0138-6.

2017

  • Dortet L, Bernabeu S, Gonzalez C, Naas T. Comparison of Two Phenotypic Algorithms To Detect Carbapenemase-Producing Enterobacteriaceae. Antimicrob Agents Chemother. 2017 61(8):e00796-17. doi: 10.1128/AAC.00796-17.
  • Hoyos-Mallecot Y, Ouzani S, Dortet L, Fortineau N, Naas T. Performance of the Xpert(®) Carba-R v2 in the daily workflow of a hygiene unit in a country with a low prevalence of carbapenemase-producing Enterobacteriaceae. Int J Antimicrob Agents. 2017 J49(6):774-777. doi: 10.1016/j.ijantimicag.2017.01.025.
  • Naas T, Oueslati S, Bonnin RA, Dabos ML, Zavala A, Dortet L, Retailleau P, Iorga BI. Beta-lactamase database (BLDB) - structure and function. J Enzyme Inhib Med Chem. 2017 32(1):917-919. doi: 10.1080/14756366.2017.1344235.

2016

  • Raczynska JE, Wlodawer A, Jaskolski M. Prior knowledge or freedom of interpretation? A critical look at a recently published classification of "novel" Zn binding sites. Proteins. 2016, 84(6):770-6. doi: 10.1002/prot.25024.
  • Kenney IM, Beckstein O, Iorga BI. Prediction of cyclohexane-water distribution coefficients for the SAMPL5 data set using molecular dynamics simulations with the OPLS-AA force field. J Comput Aided Mol Des. 2016 30(11):1045-1058. doi: 10.1007/s10822-016-9949-5.
     

 

Conférences

2019

  • A. Zavala, P. Retailleau, T. Naas, B. I. Iorga (2019) Structure, dynamics and hydrolytic properties of the class C CMY-136 β-lactamase. 257th ACS National Meeting & Exposition Abstracts of Papers, COMP-583, Orlando, FL, United States, March 31 – April 4, 2019.

2018

  • E. Selwa, E. Elisee, T. Naas,  B. Iorga (2018) Towards in silico prediction of β-lactamase-mediated antibiotic resistance using free energy calculations. 255th ACS National Meeting & Exposition Abstracts of Papers, COMP-381, New Orleans, LA, United States, 18-22 March, 2018.
  • J. Raczynska, B. Imiolczyk, M. Jaskolski (2018) Rearrangements at the Zn center in the structure of New Delhi Metallo β-lactamase. 60. Polish Crystallographic Meeting, Wroclaw, June 27-29, 2018.
  • A. Zavala, S. Oueslati, E. Selwa, E. Elisee, T. Naas, B. I. Iorga (2018) In silico prediction of β-lactamase hydrolysis efficiency: Finding the right balance between kinetic and thermodynamic terms. 256th ACS National Meeting & Exposition Abstracts of Papers, COMP-569, Boston, MA, United States, August 19-23, 2018.

2017

  • J. Raczynska, I. Shabalin, A. Wlodawer, W. Minor, M. Jaskolski (2017) What’s hiding in the PDB? Reinvestigation of structural data for the biomedically important enzymes metallo-β-lactamases. ACA Meeting, New Orleans, USA, May 26-30, 2017.
  • L. Dabos, R. A. Bonnin, L. Dortet, T. Naas, B. I. Iorga (2017) Key role of the β5-β6 loop conformation in the substrate specificity of OXA-48–like enzymes: Implications for the β-lactamase-mediated antibiotic resistance. 253rd ACS National Meeting & Exposition Abstracts of Papers, COMP-582, San Francisco, CA, United States, 2-6 April, 2017.

2016

  • B. Iorga, P. Retailleau, L. Marchini, S. Oueslati, L. Dortet, T. Naas (2016) Molecular modeling of OXA-405, a new member of the OXA-48 carbapenemase family. 251st ACS National Meeting & Exposition Abstracts of Papers, COMP-123, San Diego, CA, United States, 13-17 March, 2016.

2015

  • J. Raczynska, M. Jaskolski (2015), Comprehensive analysis of the active site architecture of metallo-beta-lactamases. Multi-Pole Approach to Structural Science, May 10-13, 2015, Warsaw, Poland.
  • E. Lafeuille, S. Oueslati, M. Herygonin, C. Exilie, B. I. Iorga, T. Naas (2015), Etude des relations structure-activité de la carbapénémase de classe B NDM-1. 35th RICAI, December 13-15, 2015, Paris, France.
  • E. Lafeuille, S. Oueslati, C. Exilie, M. Herygonin, B. I. Iorga, T. Naas (2015), Etude des relations structure-activité de la carbapénémase de classe B NDM-1. 35th RICAI, December 13-15, 2015, Paris, France.