Bogdan Iorga, Ph.D. - Publications

1998-2002 École Polytechnique, Palaiseau, Île-de-France, France 
 2002- ICSN CNRS, Paris, Île-de-France, France 
Computational chemistry, Drug design, Bioinformatics

66 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2023 Dabos L, Raczynska JE, Bogaerts P, Zavala A, Girlich D, Bonnin RA, Dortet L, Peyrat A, Retailleau P, Iorga BI, Jaskólski M, Glupczynski Y, Naas T. Structural and Biochemical Features of OXA-517: a Carbapenem and Expanded-Spectrum Cephalosporin Hydrolyzing OXA-48 Variant. Antimicrobial Agents and Chemotherapy. e0109522. PMID 36648230 DOI: 10.1128/aac.01095-22  0.798
2022 Dahdouh E, Allander L, Falgenhauer L, Iorga BI, Lorenzetti S, Marcos-Alcalde Í, Martin NI, Martínez-Martínez L, Mingorance J, Naas T, Rubin JE, Spyrakis F, Tängdén T, Gómez-Puertas P. Computational Modeling and Design of New Inhibitors of Carbapenemases: A Discussion from the EPIC Alliance Network. International Journal of Molecular Sciences. 23. PMID 36077146 DOI: 10.3390/ijms23179746  0.421
2022 Muntean MM, Muntean AA, Guerin F, Cattoir V, Creton E, Cotellon G, Oueslati S, Popa MI, Girlich D, Iorga BI, Bonnin RA, Naas T. Optimization of the rapid carbapenem inactivation method for use with AmpC hyperproducers-authors' response. The Journal of Antimicrobial Chemotherapy. PMID 35199171 DOI: 10.1093/jac/dkac058  0.372
2021 Jousset AB, Oueslati S, Emeraud C, Bonnin RA, Dortet L, Iorga BI, Naas T. KPC-39-Mediated Resistance to Ceftazidime-Avibactam in a Klebsiella pneumoniae ST307 Clinical Isolate. Antimicrobial Agents and Chemotherapy. 65: e0116021. PMID 34606331 DOI: 10.1128/AAC.01160-21  0.438
2021 de Barsy M, Mercuri PS, Oueslati S, Elisée E, Huang TD, Sacré P, Iorga BI, Naas T, Galleni M, Bogaerts P. Detection and characterization of VIM-52, a new variant of VIM-1 from clinical isolate. Antimicrobial Agents and Chemotherapy. AAC0266020. PMID 34370584 DOI: 10.1128/AAC.02660-20  0.783
2021 Muntean MM, Muntean AA, Guerin F, Cattoir V, Creton E, Cotellon G, Oueslati S, Popa MI, Girlich D, Iorga BI, Bonnin RA, Naas T. Optimization of the rapid carbapenem inactivation method for use with AmpC hyperproducers. The Journal of Antimicrobial Chemotherapy. PMID 34143889 DOI: 10.1093/jac/dkab170  0.382
2021 Rima M, Emeraud C, Bonnin RA, Gonzalez C, Dortet L, Iorga BI, Oueslati S, Naas T. Biochemical characterization of OXA-244, an emerging OXA-48 variant with reduced β-lactam hydrolytic activity. The Journal of Antimicrobial Chemotherapy. PMID 33993262 DOI: 10.1093/jac/dkab142  0.466
2021 Romero E, Oueslati S, Benchekroun M, D'Hollander ACA, Ventre S, Vijayakumar K, Minard C, Exilie C, Tlili L, Retailleau P, Zavala A, Elisée E, Selwa E, Nguyen LA, Pruvost A, ... ... Iorga BI, et al. Azetidinimines as a novel series of non-covalent broad-spectrum inhibitors of β-lactamases with submicromolar activities against carbapenemases KPC-2 (class A), NDM-1 (class B) and OXA-48 (class D). European Journal of Medicinal Chemistry. 219: 113418. PMID 33862516 DOI: 10.1016/j.ejmech.2021.113418  0.763
2021 Çekin ZK, Dabos L, Malkoçoğlu G, Fortineau N, Bayraktar B, Iorga BI, Naas T, Aktaş E. Carbapenemase -producing Pseudomonas aeruginosa isolates from Turkey: first report of P. aeruginosa high-risk clones with VIM-5- and IMP-7-type carbapenemases in a tertiary hospital. Diagnostic Microbiology and Infectious Disease. 99: 115174. PMID 32980808 DOI: 10.1016/J.Diagmicrobio.2020.115174  0.486
2020 Rivière G, Oueslati S, Gayral M, Créchet JB, Nhiri N, Jacquet E, Cintrat JC, Giraud F, van Heijenoort C, Lescop E, Pethe S, Iorga BI, Naas T, Guittet E, Morellet N. 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. Acs Omega. 5: 10466-10480. PMID 32426604 DOI: 10.1021/acsomega.0c00590  0.505
2020 Dabos L, Zavala A, Bonnin RA, Beckstein O, Retailleau P, Iorga BI, Naas T. Substrate Specificity of OXA-48 after β5-β6 Loop Replacement. Acs Infectious Diseases. 6: 1032-1043. PMID 32156115 DOI: 10.1021/Acsinfecdis.9B00452  0.795
2020 Oueslati S, Retailleau P, Marchini L, Berthault C, Dortet L, Bonnin RA, Iorga BI, Naas T. Role of Arginine 214 in the Substrate Specificity of OXA-48. Antimicrobial Agents and Chemotherapy. 64. PMID 32071047 DOI: 10.1128/Aac.02329-19  0.462
2019 Oueslati S, Retailleau P, Marchini L, Dortet L, Bonnin RA, Iorga BI, Naas T. Biochemical and Structural Characterization of OXA-405, an OXA-48 Variant with Extended-Spectrum β-Lactamase Activity. Microorganisms. 8. PMID 31877796 DOI: 10.3390/microorganisms8010024  0.527
2019 Oueslati S, Tlili L, Exilie C, Bernabeu S, Iorga B, Bonnin RA, Dortet L, Naas T. Different phenotypic expression of KPC β-lactamase variants and challenges in their detection. The Journal of Antimicrobial Chemotherapy. PMID 31848599 DOI: 10.1093/Jac/Dkz508  0.505
2019 Dabos L, Rodriguez CH, Nastro M, Dortet L, Bonnin R, Famiglietti A, Iorga BI, Vay C, Naas T. LMB-1 producing Citrobacter freundii from Argentina, a novel player in the field of MBLs. International Journal of Antimicrobial Agents. PMID 31785341 DOI: 10.1016/J.Ijantimicag.2019.11.014  0.488
2019 Elisée E, Gapsys V, Mele N, Chaput L, Selwa E, de Groot BL, Iorga BI. Performance evaluation of molecular docking and free energy calculations protocols using the D3R Grand Challenge 4 dataset. Journal of Computer-Aided Molecular Design. 33: 1031-1043. PMID 31677003 DOI: 10.1007/S10822-019-00232-W  0.747
2019 Oueslati S, Iorga BI, Tlili L, Exilie C, Zavala A, Dortet L, Jousset AB, Bernabeu S, Bonnin RA, Naas T. Unravelling ceftazidime/avibactam resistance of KPC-28, a KPC-2 variant lacking carbapenemase activity. The Journal of Antimicrobial Chemotherapy. 74: 2239-2246. PMID 31127297 DOI: 10.1093/Jac/Dkz209  0.772
2019 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 Infectious Diseases. 5: 528-538. PMID 30788955 DOI: 10.1021/Acsinfecdis.8B00240  0.774
2019 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. Journal of Computer-Aided Molecular Design. 33: 93-103. PMID 30206740 DOI: 10.1007/S10822-018-0161-7  0.777
2018 Mounkoro P, Michel T, Benhachemi R, Surpateanu G, Iorga BI, Fisher N, Meunier B. Mitochondrial complex III Q -site inhibitor resistance mutations found in laboratory selected mutants and field isolates. Pest Management Science. PMID 30426681 DOI: 10.1002/Ps.5264  0.664
2018 Selwa E, Kenney IM, Beckstein O, Iorga BI. SAMPL6: calculation of macroscopic pK values from ab initio quantum mechanical free energies. Journal of Computer-Aided Molecular Design. PMID 30084080 DOI: 10.1007/S10822-018-0138-6  0.746
2018 Dabos L, Jousset AB, Bonnin RA, Fortineau N, Zavala A, Retailleau P, Iorga BI, Naas T. Genetic and Biochemical Characterization of OXA-535, a Distantly Related OXA-48-Like β-Lactamase. Antimicrobial Agents and Chemotherapy. 62. PMID 30082287 DOI: 10.1128/Aac.01198-18  0.776
2018 Nguyen TL, Nokin MJ, Egorov M, Tomé M, Bodineau C, Di Primo C, Minder L, Wdzieczak-Bakala J, Garcia-Alvarez MC, Bignon J, Thoison O, Delpech B, Surpateanu G, Frapart YM, Peyrot F, ... ... Iorga BI, et al. mTOR inhibition via displacement of phosphatidic acid induces enhanced cytotoxicity specifically in cancer cells. Cancer Research. PMID 30054335 DOI: 10.1158/0008-5472.Can-18-0232  0.652
2018 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. Antimicrobial Agents and Chemotherapy. PMID 29866857 DOI: 10.1128/Aac.00469-18  0.785
2018 Selwa E, Elisée E, Zavala A, Iorga BI. Blinded evaluation of farnesoid X receptor (FXR) ligands binding using molecular docking and free energy calculations. Journal of Computer-Aided Molecular Design. 32: 273-286. PMID 28865056 DOI: 10.1007/S10822-017-0054-1  0.758
2017 Naas T, Oueslati S, Bonnin RA, Dabos ML, Zavala A, Dortet L, Retailleau P, Iorga BI. Beta-lactamase database (BLDB) - structure and function. Journal of Enzyme Inhibition and Medicinal Chemistry. 32: 917-919. PMID 28719998 DOI: 10.1080/14756366.2017.1344235  0.736
2017 Dortet L, Girlich D, Virlouvet AL, Poirel L, Nordmann P, Iorga BI, Naas T. Characterization of BRP, the Bleomycin Resistance Protein Associated with the Carbapenemase NDM. Antimicrobial Agents and Chemotherapy. 61. PMID 28069656 DOI: 10.1128/Aac.02413-16  0.457
2016 Selwa E, Martiny VY, Iorga BI. Molecular docking performance evaluated on the D3R Grand Challenge 2015 drug-like ligand datasets. Journal of Computer-Aided Molecular Design. 30: 829-839. PMID 27699554 DOI: 10.1007/S10822-016-9983-3  0.761
2016 Naas T, Dortet L, Iorga BI. Structural and Functional Aspects of Class A Carbapenemases. Current Drug Targets. 17: 1006-28. PMID 26960341 DOI: 10.2174/1389450117666160310144501  0.515
2016 Martiny VY, Martz F, Selwa E, Iorga BI. Blind Pose Prediction, Scoring, and Affinity Ranking of the CSAR 2014 Dataset. Journal of Chemical Information and Modeling. 56: 996-1003. PMID 26391724 DOI: 10.1021/Acs.Jcim.5B00337  0.777
2015 Pous J, Courant T, Bernadat G, Iorga BI, Blanchard F, Masson G. Regio-, Diastereo-, and Enantioselective Nitroso-Diels-Alder Reaction of 1,3-Diene-1-carbamates Catalyzed by Chiral Phosphoric Acids. Journal of the American Chemical Society. 137: 11950-3. PMID 26355670 DOI: 10.1021/Jacs.5B08515  0.614
2015 List B, Höfler D, Pous J, Courant T, Bernadat G, Iorga BI, Blanchard F, Masson G. Phosphoric Acid-Catalyzed Asymmetric Nitroso-Diels–Alder Reaction Synfacts. 11: 1212-1212. DOI: 10.1055/S-0035-1560719  0.6
2014 Desrat S, Pujals A, Colas C, Dardenne J, Gény C, Favre L, Dumontet V, Iorga BI, Litaudon M, Raphaël M, Wiels J, Roussi F. Pro-apoptotic meiogynin A derivatives that target Bcl-xL and Mcl-1. Bioorganic & Medicinal Chemistry Letters. 24: 5086-8. PMID 25266781 DOI: 10.1016/J.Bmcl.2014.09.004  0.65
2014 Colas C, Iorga BI. Virtual screening of the SAMPL4 blinded HIV integrase inhibitors dataset. Journal of Computer-Aided Molecular Design. 28: 455-62. PMID 24458507 DOI: 10.1007/S10822-014-9707-5  0.673
2014 de Miguel L, Noiray M, Surpateanu G, Iorga BI, Ponchel G. Poly(γ-benzyl-L-glutamate)-PEG-alendronate multivalent nanoparticles for bone targeting. International Journal of Pharmaceutics. 460: 73-82. PMID 24211357 DOI: 10.1016/J.Ijpharm.2013.10.048  0.632
2014 Desrat S, Remeur C, Gény C, Rivière G, Colas C, Dumontet V, Birlirakis N, Iorga BI, Roussi F. From meiogynin A to the synthesis of dual inhibitors of Bcl-xL and Mcl-1 anti-apoptotic proteins Chemical Communications. 50: 8593. DOI: 10.1039/C4Cc01830C  0.661
2014 Nicolas C, Porceddu M, Buron N, Wang Z, Colas C, Iorga B, Ambroise Y, Vandecasteele G, Fischmeister R, Borgne-Sanchez A, Brenner C. 0256: A screening strategy to identify modulators of the mitochondrial ADP/ATP translocase (ANT) for cardioprotection Archives of Cardiovascular Diseases Supplements. 6: 58. DOI: 10.1016/S1878-6480(14)71422-3  0.68
2013 Bernadat G, Supuran CT, Iorga BI. Carbonic anhydrase binding site parameterization in OPLS-AA force field. Bioorganic & Medicinal Chemistry. 21: 1427-30. PMID 23182217 DOI: 10.1016/J.Bmc.2012.10.040  0.607
2012 Nguyen TB, Lozach O, Surpateanu G, Wang Q, Retailleau P, Iorga BI, Meijer L, Guéritte F. Synthesis, biological evaluation, and molecular modeling of natural and unnatural flavonoidal alkaloids, inhibitors of kinases. Journal of Medicinal Chemistry. 55: 2811-9. PMID 22352892 DOI: 10.1021/Jm201727W  0.676
2012 Surpateanu G, Iorga BI. Evaluation of docking performance in a blinded virtual screening of fragment-like trypsin inhibitors. Journal of Computer-Aided Molecular Design. 26: 595-601. PMID 22180049 DOI: 10.1007/S10822-011-9526-X  0.671
2012 Surpateanu G, Soulé JF, Beau JM, Norsikian S, Iorga BI. Conformational study of glycal-type neuraminidase inhibitors Journal of Carbohydrate Chemistry. 31: 114-129. DOI: 10.1080/07328303.2011.636161  0.682
2012 Dardenne J, Pujals A, Colas C, Birlirakis N, Wiels J, Dumontet V, Geny C, Iorga B, Guéritte F, Roussi F. Pharmacomodulation of Meiogynin A, a dimeric sesquiterpenoid inhibiting BCL-XL and BAK interaction Planta Medica. 78. DOI: 10.1055/S-0032-1320396  0.65
2012 Amara N, Vijayan R, Biggin PC, Iorga BI. Ionontropic Glutamate Receptors: Insight into the Mechanism of Desensitization and Deactivation using Molecular Dynamics Simulations Biophysical Journal. 102: 114a. DOI: 10.1016/J.Bpj.2011.11.642  0.755
2011 Rouleau J, Iorga BI, Guillou C. New potent human acetylcholinesterase inhibitors in the tetracyclic triterpene series with inhibitory potency on amyloid β aggregation European Journal of Medicinal Chemistry. 46: 2193-2205. PMID 21435752 DOI: 10.1016/J.Ejmech.2011.02.073  0.612
2011 Aráoz R, Chabaud L, Guillou C, Molgó J, Iorga BI. Spiroimine Toxins in Complex with Nicotinic Acetylcholine Receptors: Structure and Dynamics Biophysical Journal. 100: 347a. DOI: 10.1016/J.Bpj.2010.12.2093  0.613
2009 Varin M, Barré E, Iorga B, Guillou C. Synthesis of (±)-Codeine Synfacts. 2009: 126-126. DOI: 10.1055/S-0028-1087602  0.746
2008 Varin M, Barré E, Iorga B, Guillou C. Diastereoselective total synthesis of (+/-)-codeine. Chemistry (Weinheim An Der Bergstrasse, Germany). 14: 6606-8. PMID 18561354 DOI: 10.1002/Chem.200800744  0.762
2007 Varin M, Chiaroni A, Lallemand JY, Iorga B, Guillou C. A new access to dihydrotropones through ring expansion of spirocyclohexadienones: synthesis and mechanism. The Journal of Organic Chemistry. 72: 6421-6. PMID 17655358 DOI: 10.1021/Jo070594P  0.776
2006 Iorga B, Herlem D, Barré E, Guillou C. Acetylcholine nicotinic receptors: finding the putative binding site of allosteric modulators using the "blind docking" approach. Journal of Molecular Modeling. 12: 366-72. PMID 16372175 DOI: 10.1007/S00894-005-0057-Z  0.618
2005 Iorga B, Campagne J. Ethyl Propiolate: A Simple and Convenient Peptide Coupling Reagent. Cheminform. 36. DOI: 10.1055/S-2004-829553  0.572
2003 Scozzafava A, Iorga B, Supuran CT. Carbonic anhydrase activators: synthesis of high affinity isozymes I, II and IV activators, derivatives of 4-(4-tosylureido-amino acyl)ethyl-1H-imidazole (histamine derivatives). Journal of Enzyme Inhibition. 15: 139-61. PMID 10938540 DOI: 10.1080/14756360009030347  0.316
2001 Iorga B, Savignac P. Controlled Reactivity of Phosphonates by Temporary Silicon Connection Synlett. 2001: 0447-0457. DOI: 10.1055/S-2001-12309  0.523
2001 Iorga B, Savignac P. Controlled monohalogenation of phosphonates Journal of Organometallic Chemistry. 624: 203-207. DOI: 10.1016/S0022-328X(00)00889-5  0.571
2000 Clare BW, Scozzafava A, Briganti F, Iorga B, Supuran CT. Protease inhibitors. Part 2. Weakly basic thrombin inhibitors incorporating sulfonyl-aminoguanidine moieties as S1 anchoring groups: synthesis and structure-activity correlations. Journal of Enzyme Inhibition. 15: 235-64. PMID 10811030 DOI: 10.3109/14756360009040686  0.357
2000 Iorga B, Eymery F, Savignac P. Controlled Monohalogenation of Phosphonates, Part II: Preparation of Pure Diethyl α-Monohalogenated Alkylphosphonates Synthesis. 2000: 576-580. DOI: 10.1055/S-2000-6375  0.76
2000 Eymery F, Iorga B, Savignac P. The Usefulness of Phosphorus Compounds in Alkyne Synthesis Synthesis. 2000: 185-213. DOI: 10.1055/S-2000-6241  0.767
2000 Iorga B, Ricard L, Savignac P. Carbanionic displacement reactions at phosphorus. Part III. Cyanomethylphosphonate vs. cyanomethylenediphosphonate. Synthesis and solid-state structures Journal of the Chemical Society-Perkin Transactions 1. 3311-3316. DOI: 10.1039/B003371P  0.587
2000 Iorga B, Carmichael D, Savignac P. Phosphonate–phosphonochloridate conversion Comptes Rendus De L'AcadéMie Des Sciences - Series Iic - Chemistry. 3: 821-829. DOI: 10.1016/S1387-1609(00)01207-X  0.543
2000 Iorga B, Eymery F, Carmichael D, Savignac P. Dialkyl 1-Alkynylphosphonates: a Range of Promising Reagents European Journal of Organic Chemistry. 2000: 3103-3115. DOI: 10.1002/1099-0690(200009)2000:18<3103::Aid-Ejoc3103>3.0.Co;2-V  0.767
1999 Iorga B, Eymery F, Savignac P. The Syntheses and Properties of 1,2-Epoxyalkylphosphonates Synthesis. 1999: 207-224. DOI: 10.1055/S-1999-3378  0.752
1999 Eymery F, Iorga B, Savignac P. Synthesis of phosphonates by nucleophilic substitution at phosphorus: The SNP(V) reaction Tetrahedron. 55: 13109-13150. DOI: 10.1016/S0040-4020(99)00822-4  0.762
1999 Iorga B, Eymery F, Savignac P. Controlled monohalogenation of phosphonates: A new route to pure α-monohalogenated diethyl benzylphosphonates Tetrahedron. 55: 2671-2686. DOI: 10.1016/S0040-4020(99)00037-X  0.772
1998 Supuran CT, Scozzafava A, Ilies MA, Iorga B, Cristea T, Briganti F, Chiraleu F, Banciu MD. Carbonic anhydrase inhibitors - Part 53. Synthesis of substituted-pyridinium derivatives of aromatic sulfonamides: The first non-polymeric membrane-impermeable inhibitors with selectivity for isozyme IV European Journal of Medicinal Chemistry. 33: 577-594. DOI: 10.1016/S0223-5234(98)80017-2  0.304
1998 Iorga B, Eymery F, Savignac P. An efficient synthesis of tetraethyl fluoromethylenediphosphonate and derivatives from diethyl dibromofluoromethylphosphonate Tetrahedron Letters. 39: 4477-4480. DOI: 10.1016/S0040-4039(98)00821-1  0.77
1998 Iorga B, Eymery F, Savignac P. A highly selective synthesis of α-monofluoro- and α-monochloro- benzylphosphonates using electrophilic halogenation of benzylphosphonates carbanions Tetrahedron Letters. 39: 3693-3696. DOI: 10.1016/S0040-4039(98)00648-0  0.772
1998 Iorga B, Eymery F, Mouriès V, Savignac P. Phosphorylated aldehydes: Preparations and synthetic uses Tetrahedron. 54: 14637-14677. DOI: 10.1016/S0040-4020(98)00896-5  0.758
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