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Accueil > Equipes de recherche > RMN des substances d’intérêt biologique > Publications


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  • M Sarkis, MA Miteva, M Chiara Dasso Lang, M Jaouen, M-A Sari, M-O Galcéra, M Ethève-Quelquejeu, C Garbay, G Bertho*, E Braud* Insights into the interaction of high potency inhibitor IRC-083864 with phosphatase CDC25 : Binding model of CDC25 inhibitor IRC-083864 Proteins, 2017, Jan 5 doi: 101002/prot25236
  • M Melikian, B Eluard, G Bertho, V Baud, N Evrard-Todeschi Model of the Interaction between the NF-κB Inhibitory protein p100 and the E3 ubiquitin ligase β-TrCP based on NMR and Docking Experiments J Chem Inf Model, 2017 Jan 13 doi: 101021/acsjcim5b00409
  • Yurenko YP, Bazzi S, Marek R, Kozelka J Anion-π Interactions in Flavoproteins Involve a Substantial Charge-Transfer Component Chemistry 2017, 23 3246-3250
  • Kozelka J Lone pair-π interactions in biological systems: occurrence, function, and physical origin, Eur Biophys J 2017 May 2 doi: 101007/s00249-017-1210-1
  • R Balzan, L Fernandes, L Pidial, A Comment, B Tavitian, PR Vasos Pyruvate cellular uptake and enzymatic conversion probed by dissolution DNP‐NMR: the impact of overexpressed membrane transporters Magn Reson Chem, 2017, 55:579-583

  • R Balzan, L Fernandes, A Comment, L Pidial, B Tavitian, PR Vasos Dissolution Dynamic Nuclear Polarization Instrumentation for Real-time Enzymatic Reaction Rate Measurements by NMR JoVE, 2016, e53548-e53548
  • M Luck, G Bertho, M Bateson, A Karras, A Yartseva, E Thervet, C Damon, N Pallet* Rule-Mining for the Early Prediction of Chronic Kidney Disease Based on Metabolomics and Multi-Source Data PLoS One 2016 Nov 18;11(11):e0166905
  • J-W Chiao, M Melikian, L Han, A Tsao, S K Mencher, J Fallon, G Bertho* & L G Wang* Interaction of a small molecule and STAT3-SH2 domain to block Y705 phosphorylation and inhibit lupus nephritis Biochem Pharmacol, 2016, 99, 123-131
  • Novotný J, Bazzi S, Marek R, Kozelka J Lone-pair-π interactions: analysis of the physical origin and biological implications Phys Chem Chem Phys 2016 Jul 28;18(28):19472-81
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  • I Anosova, S Melnik, K Tripsianes, F Kateb, I Grummt, M Sattler A novel RNA binding surface of the TAM domain of TIP5/BAZ2A mediates epigenetic regulation of rRNA genes Nucleic Acids Res 2015, 43, 5208-5220
  • Badri Z, Foroutan-Nejad C, Kozelka J, Marek R On the non-classical contribution in lone-pair-π interaction: IQA perspective Phys Chem Chem Phys 2015 Oct 21;17(39):26183-9
  • M Luck*, A Yartseva, G Bertho, E Thervet, P Beaune, N Pallet, C Damon Metabolic profiling of 1H NMR spectra in Chronic Kidney Disease with local predictive modeling Proc Int Conf Mach Learn Appl, 2015, 176-181
  • L Ducassou, F André, B Ramassamy, Y Xu-Li, M-A Loriot, P Beaune, G Bertho, M Lombard, D Mansuy, J-L Boucher Expression in Yeast and Discovery of New Substrates of Human Orphan Cytochrome P450 2U1: Interpretation of their Hydroxylation Regioselectivity from Docking Studies on a Protein 3D Model Biochim Biophys Acta 2015 ; 1850(7), 1426-37

  • N Pallet, E Thervet, P Beaune, A Karras, G Bertho* The urinary metabolome of chronic kidney disease Kidney Int, 2014, 85, 1239–1240
  • M Carichon, N Pallet, C Schmitt, T Lefebvre, L Gouya, N Talbi, J-C Deybach, P Beaune, P Vasos, H Puy, G Bertho* The urinary metabolic fingerprint of Acute Intermittent Porphyria analyzed by 1H-NMR spectroscopy Anal Chem, 2014, 86, 2166−2174
  • S Téletchéa, V Stresing, S Hervouet, M Baud’huin, M-F Heymann, G Bertho, C Charrier, K Ando, D Heymann Novel RANK antagonists for the treatment of bone resorptive disease: Theoretical predictions and experimental validation J Bone Miner Res 2014, 29, 1466-1477
  • A Sadet, L Fernandes, F Kateb, R Balzan, PR Vasos Long-lived coherences: Improved dispersion in the frequency domain using continuous-wave and reduced-power windowed sustaining irradiation J Chem Phys 2014, 141 (5), 054203

  • F Kateb, H Perrin, K Tripsianes, P Zou, R Spadaccini, M Bottomley, TM Franzmann, J Buchner,S Ansieau, M Sattler Structural and Functional Analysis of the DEAF-1 and BS69 MYND Domains PLoS One 2013, 8: e54715
  • L Fernandes, C Guerniou, I Marín‐Montesinos, M Pons, F Kateb, PR Vasos Long‐lived states in an intrinsically disordered protein domain Magn Reson Chem 2013, 51 (11), 729-733
  • C Decroos, V Balland, J-L Boucher, G Bertho, Y Xu, D Mansuy Towards Stable Electron Paramagnetic Resonance Oximetry Probes Synthesis, Characterization and Metabolic Evaluation of New Ester Derivatives of a Tris-(para-carboxyltetrathiaaryl)methyl (TAM) RadicalChem Res Toxicol, 2013, 26, 1561–1569
  • P Dansette, D Levent, A Hessani, G Bertho, D Mansuy Thiolactone Sulfoxides as New Reactive Metabolites Acting as Bis-Electrophiles: Implication in Clopidogrel and Prasugrel Bioactivation Chem Res Toxicol, 2013, 26, :794-802
  • C Charrier, G Bertho, O Petigny, P Moneton, R Azerad A new derivative detected in accelerated ageing of artesunate-amodiaquine fixed dose combination tablets J Pharm Biomed Anal 2013, 81-82:20-26
  • M Hamel, M Lecinq, M Gulea, J Kozelka Ortho-(methylsulfanyl) phenylphosphonates and derivatives: Synthesis and applications as mono-or bidentate ligands for the preparation of platinum complexes J Org Chem, 2013, Vol 745–746, 206–213
  • Bergès J, Fourré I, Pilmé J, Kozelka J Quantum chemical topology study of the water-platinum(II) interaction Inorg Chem 2013 Feb 4;52(3):1217-27

  • T Suchánková, K Kubíček, J Kašpárková, V Brabec, J Kozelka Platinum–DNA interstrand crosslinks: Molecular determinants of bending and unwinding of the double helix J Inorg Biochem 2012 Mar;108:69-79
  • Monnet J, Kozelka J Cisplatin GG-crosslinks within single-stranded DNA: origin of the preference for left-handed helicity J Inorg Biochem 2012 Oct;115:106-12
  • A Mantsyzov, G Bouvier, N Evrard-Todeschi, G Bertho* Contact-based ligand-clustering approach for the identification of active compounds in virtual screening Adv Appl Bioinform Chem, 2012, doi:102147/AABCS30881
  • Fougeray, I Mami, G Bertho, C Legendre, P Beaune, E Thervet, N Pallet Tryptophan depletion and the kinase GCN2 mediate interferon γ-induced autophagy J Immunol, 2012, 189, 2954-2964
  • P Rada, A I Rojo, N Evrard-Todeschi, N G Innamorato, A Cotte, T Jaworski, J C Tobón-Velasco, H Devijver, M Flor García-Mayoral, F Van Leuven, J D Hayes, G Bertho*, A Cuadrado* Structural and functional characterization of Nrf2 degradation by the GSK-3/β-TrCP axis Mol Cell Biol, 2012, 32, 3486-3499
  • P Dansette, J Rosi, J Debernardi, G Bertho, D Mansuy Metabolic Activation of Prasugrel : Nature of the two Competitive Pathways Resulting in the Opening of its Thiophene RingChem Res Toxicol, 2012, 25, 1058–1065
  • C Chopard, T Prangé, G Bertho Naphthalene-dioxygenase catalysed cis-dihydroxylation of bicyclic azaarenes RSC Adv, 2012, 2, 605-615
  • PM Dansette, J Rosi, G Bertho, D Mansuy Cytochromes P450 Catalyze Both Steps of the Major Pathway of Clopidogrel Bioactivation Whereas Paraoxonase Catalyzes the Formation of a Minor Thiol Metabolite Isomer Chem Res Toxicol, 2012, 25, 348-356

  • Kozelka, J* Evaluation of dissociation constants from competition binding experiments based on the relative binding ratio Anal Biochem, 2011,409, 66‐73
  • Kumpun, S ; Maria, A ; Crouzet, S ; Evrard‐Todeschi, N ; Girault, JP ; Lafont, R* Ecdysteroids from Chenopodium quinoa Willd, an ancient Andean crop of high nutritional value Food Chem, 2011, 125, 1226‐123
  • Kumpun, S ; Girault, JP ; Dinan, L ; Blais, C ; Maria, A ; Dauphin‐Villemant, C ; Yingyongnarongkul, B ; Suksamrarn, A ; Lafont, R* The metabolism of 20‐hydroxyecdysone in mice: relevance to pharmacological effects and gene switch applications of ecdysteroids. J Steroid Biochem Mol Biol, 2011, 126, 1‐9
  • Pons, J ; Tanchou, V ; Girault, JP ; Bertho, G ; Evrard‐Todeschi, N* NMR applications for identifying β‐TrCP protein‐ligand interactions Mini Rev Med Chem, 2011, 11, 283‐297
  • Sarkar, R ; Ahuja, P *; Vasos, PR ; Bornet, A ; Wagnieres, O ; Bodenhausen, G Long‐lived coherences for line‐narrowing in high‐field NMR Progr Nucl Magn Res Spectrosc, 2011, 59, 83‐9
  • Segawa, TF *; Bornet, A ; Salvi, N ; Mieville, P ; Vitzthum, V ; Carnevale, D ; Jannin, S ; Caporini, MA ; Ulzega, S ; Vasos, PR ; Rey, M ; Bodenhausen, G* Extending Timescales and Narrowing Linewidths in NMR Chimia, 2011, 65, 652‐655
  • Bornet, A ; Ahuja, P ; Sarkar, R ; Fernandes, L ; Hadji, S ; Lee, SY ; Haririnia, A ; Fushman, D ; Bodenhausen, G ; Vasos, PR* Long‐lived states to monitor protein unfolding by proton NMR Chem. Phys. Chem., 2011, 12, 2729‐2734

  • Rizzato, S ; Bergès, J ; Mason, SA ; Albinati, A ; Kozelka, J* Dispersion‐driven hydrogen bonding: predicted hydrogen bond between water and platinum(II) identified by neutron diffraction Angew Chem Int Ed, 2010,49, 7440‐7443
  • Ahuja, P ; Sarkar, R ; Jannin, S ; Vasos, PR *; Bodenhausen, G  Proton hyperpolarisation preserved in long‐lived states  Chem Commun, 2010, 46, 8192‐8194
  • Mamadalieva, NZ ; Janibekov, AA ; Girault, JP ; Lafont, R*  Two minor phytoecdysteroids of the plant Silene viridiflora.  Nat Prod Commun, 2010, 5, 1579‐1582
  • Bouvier, G ; Evrard‐Todeschi, N ; Girault, JP ; Bertho, G* Automatic clustering of docking poses in virtual screening process using self‐organising map Bioinformatics, 2010, 26, 53‐60

  • Kozelka, J*  Molecular origin of the sequence‐dependent kinetics of reactions between cisplatin derivatives and  DNA  Inorg Chim Acta, 2009,362, 651–668
  • Téletchéa, S ; Skauge, T ; Sletten, E ; Kozelka, J* Cisplatin Adducts on a GGG Sequence within a DNA Duplex Studied by NMR Spectroscopy and Molecular Dynamics Simulations Chem. Eur. J., 2009,15, 12320 – 12337
  • Crouzet, S ; Maria, A ; Dinan, L ; Lafont, R ; Girault, JP* Ecdysteroids from Cyanotis longifolia Benth. (Commelinaceae). Arch Insect Biochem Physiol, 2009, 72, 194‐209
  • Zibareva, L ; Yeriomina, VI ; Munkhjargal, N ; Girault, JP ; Dinan, L ; Lafont, R. * The phytoecdysteroid profiles of 7 species of Silene (Caryophyllaceae). Arch Insect Biochem Physiol, 2009, 72, 234‐248

  • Ho, R ; Girault, JP ; Cousteau, PY ; Bianchini, JP ; Raharivelomanana, P ; Lafont, R* Isolation of a new class of ecdysteroid conjugates (glucosyl‐ferulates) using a combination of liquid chromatographic methods. J Chromatogr Sci, 2008, 46, 102‐110
  • Bertho, G *;. Bouvier, G ; Hui Bon Hoa, G ; Girault, JP* The key‐role of tyrosine 155 in the mechanism of prion transconformation as highlighted by a study of sheep mutant peptides. Peptides, 2008, 29, 1073‐1084
  • Pons, J ; Evrard‐Todeschi, N ; Bertho, G ; Gharbi‐Benarous, J ; Tanchou, V ; Benarous, R ; Girault, JP* Transfer‐NMR and Docking Studies Identify the Binding of the Peptide Derived from Activating Transcription Factor 4 to Protein Ubiquitin Ligase beta‐TrCP. Competition STD‐NMR with beta‐Catenin Biochemistry, 2008, 47, 14‐29 (Hot article)
  • Evrard‐Todeschi, N ; Pons, J ; Gharbi‐Benarous, J ; Bertho, G ; Benarous, R ; Girault, JP* Structure of the Complex between Phosphorylated Substrates and the beta‐TrCP Ubiquitine Ligase Receptor: A combined NMR, Molecular Modelling and Docking Approach J Chem Inf Model, 2008, 48, 2350‐2361

  • Pons, J ; Evrard‐Todeschi, N ; Bertho, G ; Gharbi‐Benarous, J ; Sonois, V ; Benarous, R ; Girault, JP* Structural studies on 24P‐IkBa peptide derived from a human IkB‐a protein‐related with the inhibition of the transcription factor nuclear NFkB activity Biochemistry, 2007, 46, 2958‐2972
  • Pons, J ; Evrard‐Todeschi, N ; Bertho, G ; Gharbi‐Benarous, J ; Benarous, R ; Girault, JP* Phosphorylation‐Dependent Structure of ATF4 Peptides derived from a Human ATF4 Protein, a Member of the Family of Transcription Factors Peptides, 2007, 28, 2253‐2267
  • Snogan, E ; Vahirua‐Lechat, I ; Ho, R ; Bertho, G ; Girault, JP ; Ortiga, S ; Maria, A ; Lafont R* Ecdysteroids from the Medicinal Fern Microsorum scolopendria (Burm. f.) Phytochem Anal., 2007, 18, 441‐450
  • Aitken, DJ ; Albinati, A ; Gutier, A ; Husson, H‐P ; Morgant, G ; Nguyen‐Huy, D ; Kozelka, J *; Lemoine, P ; Ongeri, S ; Rizzato, S ; Viossat, B Platinum(II) and Palladium(II) Complexes with N‐Aminoguanidine Eur J Inorg Chem, 2007, 3327 ‐ 3334
  • Hamel, M ; Rizzato, S ; Lecinq, M ; Sene, A ; Vazeux, M ; Gulea, M ; Albinati, A ; Kozelka, J* Study of Intramolecular Competition between Carboxylate and Phosphonate for PtII with the Aid of a Novel Tridentate Carboxylato‐Thioether‐Phosphonato Ligand Chem. Eur. J., 2007,13, 5441‐5449