Bogdan I Iorga

Department of Pharmaceutical Sciences and Moulder Center for Drug Discovery Research, Temple University School of Pharmacy, 3307 N Broad Street, Philadelphia PA-19140, United States. Electronic address:

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October 2020

Discovery of simplified benzazole fragments derived from the marine benzosceptrin B as necroptosis inhibitors involving the receptor interacting protein Kinase-1.

Authors:

Mohamed Benchekroun Ludmila Ermolenko Minh Quan Tran Agathe Vagneux Hristo Nedev Claire Delehouzé Mohamed Souab Blandine Baratte Béatrice Josselin Bogdan I Iorga Sandrine Ruchaud Stéphane Bach Ali Al-Mourabit

Eur J Med Chem 2020 Sep 25;201:112337. Epub 2020 Jun 25.

Université Paris-Saclay, CNRS, Institut de Chimie des Substances Naturelles, Gif-sur-Yvette, 91190, France. Electronic address:

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September 2020

Structural insight into the formation of lipoprotein-β-barrel complexes.

Authors:

Raquel Rodríguez-Alonso Juliette Létoquart Van Son Nguyen Gwennaelle Louis Antonio N Calabrese Bogdan I Iorga Sheena E Radford Seung-Hyun Cho Han Remaut Jean-François Collet

Nat Chem Biol 2020 09 22;16(9):1019-1025. Epub 2020 Jun 22.

Walloon Excellence in Life Sciences and Biotechnology, Brussels, Belgium.

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September 2020

How the assembly and protection of the bacterial cell envelope depend on cysteine residues.

Authors:

Jean-François Collet Seung-Hyun Cho Bogdan I Iorga Camille V Goemans

J Biol Chem 2020 08 2;295(34):11984-11994. Epub 2020 Jun 2.

European Molecular Biology Laboratory, Heidelberg, Germany.

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August 2020

NMR Characterization of the Influence of Zinc(II) Ions on the Structural and Dynamic Behavior of the New Delhi Metallo-β-Lactamase-1 and on the Binding with Flavonols as Inhibitors.

Authors:

Gwladys Rivière Saoussen Oueslati Maud Gayral Jean-Bernard Créchet Naïma Nhiri Eric Jacquet Jean-Christophe Cintrat François Giraud Carine van Heijenoort Ewen Lescop Stéphanie Pethe Bogdan I Iorga Thierry Naas Eric Guittet Nelly Morellet

ACS Omega 2020 May 28;5(18):10466-10480. Epub 2020 Apr 28.

Institut de Chimie des Substances Naturelles, CNRS UPR 2301, Université Paris-Sud, Université Paris-Saclay, LabEx LERMIT, 1 avenue de la Terrasse, 91190 Gif-sur-Yvette, France.

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May 2020

Substrate Specificity of OXA-48 after β5-β6 Loop Replacement.

Authors:

Laura Dabos Agustin Zavala Rémy A Bonnin Oliver Beckstein Pascal Retailleau Bogdan I Iorga Thierry Naas

ACS Infect Dis 2020 05 19;6(5):1032-1043. Epub 2020 Mar 19.

EA7361 "Structure, Dynamic, Function and Expression of Broad Spectrum β-Lactamases", Université Paris Sud, Université Paris Saclay, LabEx Lermit, Faculty of Medicine, 94270 Le Kremlin-Bicêtre, France.

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May 2020

Role of Arginine 214 in the Substrate Specificity of OXA-48.

Authors:

Saoussen Oueslati Pascal Retailleau Ludovic Marchini Camille Berthault Laurent Dortet Rémy A Bonnin Bogdan I Iorga Thierry Naas

Antimicrob Agents Chemother 2020 04 21;64(5). Epub 2020 Apr 21.

EA7361 Structure, Dynamic, Function and Expression of Broad Spectrum β-Lactamases, UMR1184, Faculty of Medicine, LabEx LERMIT, Université Paris-Saclay, Le Kremlin-Bicêtre, France

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April 2020

Prediction of octanol-water partition coefficients for the SAMPL6-[Formula: see text] molecules using molecular dynamics simulations with OPLS-AA, AMBER and CHARMM force fields.

Authors:

Shujie Fan Bogdan I Iorga Oliver Beckstein

J Comput Aided Mol Des 2020 05 20;34(5):543-560. Epub 2020 Jan 20.

Department of Physics and Center for Biological Physics, Arizona State University, P.O. Box 871504, Tempe, AZ, 85287-1504, USA.

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May 2020

Mutational analysis of the Q-site proton pathway in yeast cytochrome bc complex.

Authors:

Zehua Song Yangfeng Hu Bogdan I Iorga Cindy Vallières Nicholas Fisher Brigitte Meunier

Biochem Biophys Res Commun 2020 03 12;523(3):615-619. Epub 2020 Jan 12.

Université Paris-Saclay, CEA, CNRS, Institute for Integrative Biology of the Cell (I2BC), 91198, Gif-sur-Yvette, France. Electronic address:

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March 2020

Biochemical and Structural Characterization of OXA-405, an OXA-48 Variant with Extended-Spectrum β-Lactamase Activity.

Authors:

Saoussen Oueslati Pascal Retailleau Ludovic Marchini Laurent Dortet Rémy A Bonnin Bogdan I Iorga Thierry Naas

Microorganisms 2019 Dec 21;8(1). Epub 2019 Dec 21.

EA7361 "Structure, dynamic, function and expression of broad spectrum β-lactamases", Faculty of Medicine of Paris-Sud University, Labex LERMIT, University Paris-Saclay, 94270 Le Kremlin-Bicêtre, France.

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December 2019

LMB-1 producing Citrobacter freundii from Argentina, a novel player in the field of MBLs.

Authors:

Laura Dabos Carlos H Rodriguez Marcela Nastro Laurent Dortet Rémy A Bonnin Angela Famiglietti Bogdan I Iorga Carlos Vay Thierry Naas

Int J Antimicrob Agents 2020 Feb 27;55(2):105857. Epub 2019 Nov 27.

EA7361 "Structure, dynamic, function and expression of broad spectrum β-lactamases", Paris-Sud University, Faculty of Medicine, Le Kremlin-Bicêtre, France; Joint research Unit EERA « Evolution and Ecology of Resistance to Antibiotics », Institut Pasteur-APHP-University Paris Sud, Paris, France; Department of Bacteriology-Hygiene, Bicêtre Hospital, APHP, Le Kremlin-Bicêtre, France; French National Reference Center for Antibiotic Resistance, Le Kremlin-Bicêtre, France. Electronic address:

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February 2020

Performance evaluation of molecular docking and free energy calculations protocols using the D3R Grand Challenge 4 dataset.

Authors:

Eddy Elisée Vytautas Gapsys Nawel Mele Ludovic Chaput Edithe Selwa Bert L de Groot Bogdan I Iorga

J Comput Aided Mol Des 2019 12 1;33(12):1031-1043. Epub 2019 Nov 1.

Institut de Chimie des Substances Naturelles, CNRS UPR 2301, Université Paris-Saclay, Labex LERMIT, Gif-sur-Yvette, France.

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December 2019

Synthetic Pinnatoxins A and G Reversibly Block Mouse Skeletal Neuromuscular Transmission In Vivo and In Vitro.

Authors:

Evelyne Benoit Aurélie Couesnon Jiri Lindovsky Bogdan I Iorga Rómulo Aráoz Denis Servent Armen Zakarian Jordi Molgó

Mar Drugs 2019 May 24;17(5). Epub 2019 May 24.

Commissariat à l'Energie Atomique et aux énergies Alternatives (CEA), Institut des Sciences du Vivant Frédéric Joliot, Service d'Ingénierie Moléculaire des Protéines (SIMOPRO), CEA de Saclay, Université Paris-Saclay, F-91191 Gif-sur-Yvette, France.

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May 2019

Unravelling ceftazidime/avibactam resistance of KPC-28, a KPC-2 variant lacking carbapenemase activity.

Authors:

Saoussen Oueslati Bogdan I Iorga Linda Tlili Cynthia Exilie Agustin Zavala Laurent Dortet Agnès B Jousset Sandrine Bernabeu Rémy A Bonnin Thierry Naas

J Antimicrob Chemother 2019 08;74(8):2239-2246

EA7361 'Structure, Dynamic, Function and Expression of Broad Spectrum β-Lactamases', Faculty of Medicine, Université Paris-Sud, LabEx Lermit, Université Paris-Saclay, Le Kremlin-Bicêtre, France.

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August 2019

Genetic, Biochemical, and Structural Characterization of CMY-136 β-Lactamase, a Peculiar CMY-2 Variant.

Authors:

Agustin Zavala Pascal Retailleau Eddy Elisée Bogdan I Iorga Thierry Naas

ACS Infect Dis 2019 04 7;5(4):528-538. Epub 2019 Mar 7.

EA7361 "Structure, dynamic, function and expression of broad spectrum β-lactamases" , Université Paris Sud, Université Paris Saclay, LabEx LERMIT, Faculty of Medicine , 78 rue du Général Leclerc , 94275 Le Kremlin-Bicêtre , France.

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April 2019

Deleting a Chromatin Remodeling Gene Increases the Diversity of Secondary Metabolites Produced by Colletotrichum higginsianum.

Authors:

Jean-Félix Dallery Géraldine Le Goff Emilie Adelin Bogdan I Iorga Sandrine Pigné Richard J O'Connell Jamal Ouazzani

J Nat Prod 2019 04 18;82(4):813-822. Epub 2019 Feb 18.

Centre National de la Recherche Scientifique , Institut de Chimie des Substances Naturelles ICSN , Avenue de la Terrasse , 91198 , Gif-sur-Yvette , Cedex , France.

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April 2019

Mitochondrial complex III Q -site inhibitor resistance mutations found in laboratory selected mutants and field isolates.

Authors:

Pierre Mounkoro Thomas Michel Rafik Benhachemi Georgiana Surpateanu Bogdan I Iorga Nicholas Fisher Brigitte Meunier

Pest Manag Sci 2019 Aug 24;75(8):2107-2114. Epub 2018 Dec 24.

Institute for Integrative Biology of the Cell (I2BC), CEA, CNRS, Université Paris-Sud, Université Paris-Saclay, Gif-sur-Yvette, France.

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August 2019

Blinded evaluation of cathepsin S inhibitors from the D3RGC3 dataset using molecular docking and free energy calculations.

Authors:

Ludovic Chaput Edithe Selwa Eddy Elisée Bogdan I Iorga

J Comput Aided Mol Des 2019 01 11;33(1):93-103. Epub 2018 Sep 11.

Institut de Chimie des Substances Naturelles, CNRS UPR 2301, LabEx LERMIT, 91198, Gif-sur-Yvette, France.

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January 2019

SAMPL6: calculation of macroscopic pK values from ab initio quantum mechanical free energies.

Authors:

Edithe Selwa Ian M Kenney Oliver Beckstein Bogdan I Iorga

J Comput Aided Mol Des 2018 10 6;32(10):1203-1216. Epub 2018 Aug 6.

Institut de Chimie des Substances Naturelles, CNRS UPR 2301, Université Paris-Saclay, Labex LERMIT, 1 Avenue de la Terrasse, 91198, Gif-sur-Yvette, France.

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October 2018

mTOR Inhibition via Displacement of Phosphatidic Acid Induces Enhanced Cytotoxicity Specifically in Cancer Cells.

Cancer Res 2018 09 27;78(18):5384-5397. Epub 2018 Jul 27.

Institut de Chimie des Substances Naturelles, CNRS UPR 2301, Gif-sur-Yvette, France.

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September 2018

Genetic and Biochemical Characterization of OXA-519, a Novel OXA-48-Like β-Lactamase.

Authors:

Laura Dabos Pierre Bogaerts Remy A Bonnin Agustin Zavala Pierre Sacré Bogdan I Iorga Daniel T Huang Youri Glupczynski Thierry Naas

Antimicrob Agents Chemother 2018 08 27;62(8). Epub 2018 Jul 27.

EA7361 "Structure, dynamic, function and expression of broad spectrum β-lactamases," LabEx Lermit, Faculty of Medicine, Université Paris Sud, Université Paris Saclay, Le Kremlin-Bicêtre, France

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August 2018

The antimalarial compound ELQ-400 is an unusual inhibitor of the bc complex, targeting both Q and Q sites.

Authors:

Zehua Song Bogdan I Iorga Pierre Mounkoro Nicholas Fisher Brigitte Meunier

FEBS Lett 2018 04 26;592(8):1346-1356. Epub 2018 Mar 26.

Institute for Integrative Biology of the Cell (I2BC), CEA, CNRS, Université Paris-Sud, Université Paris-Saclay, Gif-sur-Yvette, France.

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April 2018

Prorocentrolide-A from Cultured Prorocentrum lima Dinoflagellates Collected in Japan Blocks Sub-Types of Nicotinic Acetylcholine Receptors.

Authors:

Muriel Amar Rómulo Aráoz Bogdan I Iorga Takeshi Yasumoto Denis Servent Jordi Molgó

Toxins (Basel) 2018 02 28;10(3). Epub 2018 Feb 28.

Commissariat à l'énergie Atomique et aux énergies Alternatives (CEA), Institut des Sciences du Vivant Frédéric Joliot, Service d'Ingénierie Moléculaire des Protéines, Université Paris-Saclay, Bâtiment 152, 91191 Gif-sur-Yvette, France.

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February 2018

(+)- and (-)-Ecarlottones, Uncommon Chalconoids from Fissistigma latifolium with Pro-Apoptotic Activity.

Authors:

Charlotte Gény Alma Abou Samra Pascal Retailleau Bogdan I Iorga Hristo Nedev Khalijah Awang Fanny Roussi Marc Litaudon Vincent Dumontet

J Nat Prod 2017 12 21;80(12):3179-3185. Epub 2017 Nov 21.

Institut de Chimie des Substances Naturelles, CNRS-ICSN UPR2301, Université Paris-Saclay , Avenue de la Terrasse, 91198 Gif-sur-Yvette Cedex, France.

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December 2017

Blinded evaluation of farnesoid X receptor (FXR) ligands binding using molecular docking and free energy calculations.

Authors:

Edithe Selwa Eddy Elisée Agustin Zavala Bogdan I Iorga

J Comput Aided Mol Des 2018 01 2;32(1):273-286. Epub 2017 Sep 2.

Institut de Chimie des Substances Naturelles, CNRS UPR 2301, LabEx LERMIT, 91198, Gif-sur-Yvette, France.

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January 2018

Beta-lactamase database (BLDB) - structure and function.

Authors:

Thierry Naas Saoussen Oueslati Rémy A Bonnin Maria Laura Dabos Agustin Zavala Laurent Dortet Pascal Retailleau Bogdan I Iorga

J Enzyme Inhib Med Chem 2017 Dec;32(1):917-919

b Institut de Chimie des Substances Naturelles, CNRS UPR 2301 , Université Paris-Saclay, LabEx LERMIT , Gif-sur-Yvette , France.

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December 2017

Cyclic imine toxins from dinoflagellates: a growing family of potent antagonists of the nicotinic acetylcholine receptors.

Authors:

Jordi Molgó Pascale Marchot Rómulo Aráoz Evelyne Benoit Bogdan I Iorga Armen Zakarian Palmer Taylor Yves Bourne Denis Servent

J Neurochem 2017 08 21;142 Suppl 2:41-51. Epub 2017 Mar 21.

Commissariat à l'Energie Atomique et aux énergies alternatives (CEA), Institut de Biologie et Technologies de Saclay (IBITECS), Université Paris-Saclay, Service d'Ingénierie Moléculaire des Protéines, Gif-sur-Yvette, France.

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August 2017

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