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Accueil > Equipes de recherche > Chimie des ARN, nucléosides, peptides et hétérocycles > Publications

Publications

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2017
  • P. Dao, D. Lietha, M. Etheve-Quelquejeu, C. Garbay, H. Chen Synthesis of novel 1,2,4-triazine scaffold as FAK inhibitors with antitumor activity Bioorg. Med. Chem. Lett., 2017, 27(8):1727-1730.

2016
  • M. Sarkis, M.A. 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 PROTEINS: Structure, Function, and Bioinformatics, 2016, 85, (4), 559–771.
  • Le Corre, L. ; Dasso Lang, M. C. ; Garbay, C. ; Gravier-Pelletier, C. ; Busca, P. ; Ethève-Quelquejeu, M. ; Braud, E. Synthesis of multi-functionalized 2-iminothiazolidin-4-ones and their 2-arylimino derivatives Synthesis 2016, DOI: 10.1055/s-0035-1562521
  • Fonvielle, M ; Sakkas, N ; Iannazzo, L ; Le Fournis, C ; Patin, D ; Mengin-Lecreulx, D ; El-Sagheer, A ; Braud, E ; Cardon, S ; Brown, T ; Arthur, M ; Etheve-Quelquejeu, M “Electrophilic RNA for Peptidyl-RNA Synthesis and Site-Specific Cross-Linking with tRNA-Binding Enzymes Angewandte Chem., 2016, DOI: 10.1002/anie.201606843
  • Iannazzo, L ; Soroka, D ; Triboulet, S ; Fonvielle, M ; Compain, F ; Dubée, V ; Mainardi, J-L ; Hugonnet, J-E ; Braud, E ; Arthur, M ; Etheve-Quelquejeu, M Routes of synthesis of carbapenems for optimizing both the inactivation of L,D-transpeptidase LdtMt1 of Mycobacterium tuberculosis and the stability towards hydrolysis by β-lactamase BlaC J. Med. Chem., 2016, 59, 3427-3438

2015
  • El Hage, K ; Piquemal, J-P ; Hobaika, Z ; Maroun, RG ; Gresh, N Approaching the double-faceted nature of the CX bond in halobenzenes with a bifunctional probe Chem. Phys. Lett., 2015, 637, 51-57
  • 45. Gresh, N ; Sponer, JE ; Devereux, M ; Gkionis, K ; de Courcy, B ; Piquemal, J-P ; Sponer, J Stacked and H-Bonded Cytosine Dimers. Analysis of the Intermolecular Interaction Energies by Parallel Quantum Chemistry and Polarizable Molecular Mechanics J. Phys. Chem. B., 2015, 119, 9477-9495
  • 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
  • Dudev, T ; Devereux, M ; Meuwly, M ; Lim, C ; Piquemal, J-P ; Gresh, N Quantum-Chemistry Based Calibration of the Alkali Metal Cation Series (Li+-Cs+) for Large-Scale Polarizable Molecular Mechanics/Dynamics Simulations J. Comput. Chem., 2015, 36, 285-302
  • Wang, Q ; Rackers, JA ; He, C ; Qi, R ; Narth, C ; Lagardere, L ; Gresh, N ; Ponder, JW ; Piquemal, J-P ; Ren, PY General Model for Treating Short-Range Electrostatic Penetration in a Molecular Mechanics Force Field J. Chem. Theory Comput., 2015, 11, 2609-2618
  • Iannazzo, L ; Benedetti, E ; Catala, M ; Etheve-Quelquejeu, M ; Tisné, C ; Micouin, L Monitoring of reversible boronic acid-diol interactions by fluorine NMR spectroscopy in aqueous media Org. Biomol. Chem., 2015, 13, 8817-8821
  • Smith, N ; Etheve-Quelquejeu, M ; Herbeuval, J-P Transformation of Plasmacytoid Dendritic Cells into Giant Multinuclear Cells by HIV-1 AIDS Res. Hum. Retroviruses, 2015, 31, 959-960
  • Dao, P ; Smith, N ; Tomkiewicz-Raulet, C ; Yen-Pon, E ; Camacho-Artacho, M ; Lietha, D ; Herbeuval, JP ; Coumoul, X ; Garbay, C ; Chen, H Design, Synthesis and evaluation of novel imidazo[1,2-a][1,3,5]triazines and their derivatives as Focal adhesion kinase inhibitors with antitumor activity J. Med. Chem., 2015, 58, 237-251
  • Liu, W-Q ; Borriello, L ; Allain, B ; Pavoni, S ; Hermine, O ; Garbay, C ; Raynaud, F ; Lepelletier, Y ; Demange, L New peptides structurally-related to VEGF-A165 exon 7 and 8 encoded domains antagonize its binding to NRP-1 and VEGF-R1 Int. J. Pept. Res. Ther., 2015, 21, 117-124
  • Jarray, R ; Pavoni, S ; Borriello, L ; Allain, B ; Lopez, N ; Bianco, S ; Liu, W-Q ; Biard, D ; Demange, L ; Hermine, O ; Garbay, C ; Raynaud, F ; Lepelletier Y Disruption of phactr-1 pathway triggers pro-inflammatory and pro-atherogenic factors: New insights in atherosclerosis development. Biochimie, 2015, 118, 151-161
  • Iannazzo, L ; Laisné, G ; Fonvielle, M ; Braud, E ; Herbeuval, J-P ; Arthur, M ; Etheve-Quelquejeu, M Synthesis of 3'-fluoro-tRNA analogues for exploring non-ribosomal peptide synthesis in bacteria ChemBioChem, 2015, 16, 477-486
  • Dao, P ; Smith, N ; Scott-Algara, D ; Garbay, C ; Herbeuval, JP ; Chen, H Restoration of TRAIL-induced apoptosis in resistant human pancreatic cancer cells by a novel FAK inhibitor, PH11. Cancer Lett. 2015, 360, 48-59
  • El Hage, K ; Piquemal, J-P ; Hobaika, Z ; Maroun, RG ; Gresh, N Could the 'Janus-like' Properties of the Halobenzene CX Bond (X=Cl, Br) Be Leveraged to Enhance Molecular Recognition? J. Comput. Chem., 2015, 36, 210-221

2014
  • N Pallet, E Thervet, P Beaune, A Karras, G Bertho* The urinary metabolome of chronic kidney disease Kidney Int, 2014, 85, 1239–1240
  • Houzé, S ; Hoang, N-T ; Lozach, O ; LeBras, J ; Meijer, L ; Galons, H ; Demange, L. Several human cyclin-dependent kinase inhibitors, structurally related to (R)-roscovitine, as new anti-malarial agents Molecules, 2014, 19, 15237-15257
  • Sarkis, M ; Tran, DN ; Dasso Lang, MC ; Garbay, C ; Braud, E Convenient synthesis of 5-arylidene-2-imino-4-thiazolidinone derivatives using microwave irradiation Synlett, 2014, 25, 1257-1262
  • Borriello, L ; Montès, M ; Lepelletier, Y ; Leforban, B ; Liu, W-Q ; Demange, L ; Delhomme, B ; Pavoni, S ; Jarray, R ; Boucher, J-L ; Dufour, S ; Hermine, O ; Garbay, C ; Hadj-Slimane, R ; Raynaud, F Structure-based discovery of a small non-peptidic Neuropilins antagonist exerting in vitro and in vivo anti-tumor activity on breast cancer model Cancer Lett., 2014, 349, 120-127
  • Goldwaser, E ; de Courcy, B ; Demange, L ; Garbay, C ; Raynaud, F ; Hadj-Slimane, R ; Piquemal, J-P ; Gresh, N Conformational analysis of a polyconjugated protein-binding ligand by joint ab initio quantum chemistry and polarizable molecular mechanics. Addressing the issues of anisotropy, conjugation, polarization, and multipole transferability J. Mol. Model., 2014, 20, 1-24
  • El Hage, K ; Piquemal, J-P ; Hobaika, Z ; Maroun, RG ; Gresh, N Substituent-Modulated Affinities of Halobenzene Derivatives to the HIV-1 Integrase Recognition Site. Analyses of the Interaction Energies by Parallel Quantum Chemical and Polarizable Molecular Mechanics J. Phys. Chem. A, 2014, 118, 9772-9782
  • Gresh, N ; El Hage, K ; Perahia, D ; Piquemal, J-P ; Berthomieu, C ; Berthomieu, D Polarizable Molecular Mechanics studies of Cu(I)/Zn(II) Superoxide Dismutase. Bimetallic binding site and structured waters J. Comput. Chem., 2014, 35, 2096-2106
  • Liu, W-Q ; Megale, V ; Borriello, L ; Leforban, B ; Montes, M ; Goldwaser, E ; Gresh, N ; Piquemal, J-P ; Hadj-Slimane, R ; Hermine, O ; Garbay, C ; Raynaud, F ; Lepelletier, Y ; Demange, L Synthesis and structure-activity relationship of non peptidic antagonists of Neuropilin-1 receptor Bioorg. Med. Chem. Lett., 2014, 24, 4254-4259
  • Devereux, M ; Gresh, N ; Piquemal, J-P ; Meuwly, M A Supervised Fitting Approach to Force Field Parametrization with Application to the SIBFA Polarizable Force Field J. Comput. Chem., 2014, 35, 1577-1591
  • Chaudret, R ; Gresh, N ; Narth, C ; Lagardere, L ; Darden, TA ; Cisneros, GA ; Piquemal, J-P S/G-1: An Ab Initio Force-field Blending Frozen Hermite Gaussian Densities and Distributed Multipoles. Proof of Concept and First Applications to Metal Cations J. Phys. Chem. A, 2014, 118, 7598-7612
  • Smith, N ; Etheve-Quelquejeu, M ; Herbeuval, J-P CD4 and Tumor Necrosis Factor-Related Apoptosis Ligand (TRAIL) localization in HIV-stimulated plasmacytoid dendritic cells by three-dimensional microscopy AIDS Res. Hum. Retroviruses, 2014, 30, 1158-1159
  • Santarem, M ; Fonvielle, M ; Sakkas, N ; Laisné, G ; Chemama, M ; Herbeuval, J-P ; Braud, E ; Arthur, M ; Etheve-Quelquejeu, M Synthesis of 3'-triazoyl-dinucleotides as precursors of stable Phe-tRNA(Phe) and Leu-tRNA(Leu) analogues Bioorg. Med. Chem. Lett., 2014, 24, 3231-3233
  • Xu, B ; Unione, L ; Sardinha, J ; Wu, S ; Ethève-Quelquejeu, M ; Pilar Rauter, A ; Blériot, Y ; Zhang, Y ; Diaz, D ; Jiménez-Barbero, J ; Sollogoub, M gem-Difluorocarbadisaccharides: restoring the exo-anomeric effect Angewandte Chem., 2014, 53, 9597-9602
  • 22. Dao, P ; Jarray, R ; Smith, N ; Lepelletier, Y ; Le Coq, J ; Lietha, D ; Hadj-Slimane, R ; Herbeuval, J-P ; Garbay, C ; Raynaud, F ; Chen, H nhibition of both focal adhesion kinase and fibroblast growth factor receptor 2 pathways induces anti-tumor and anti-angiogenic activities Cancer Lett., 2014, 348, 88–99

2013
  • Roger, T ; Raynaud, F ; Bouillaud, F ; Ransy, C ; Simonet, S ; Crespo, C ; Bourguignon, M-P ; Villeneuve, N ; Vilaine, J-P ; Artaud, I ; Galardon E New biologically active hydrogen sulfide donors ChemBioChem, 2013, 14, 2268-2271
  • Chaudret, R ; Gresh, N ; Cisneros, GA ; Scemama, A ; Piquemal, J-P Further refinements of next-generation force fields. Nonempirical localization of off-centered points in molecules Can. J. Chem., 2013, 91, 804-810
  • N’Gompaza-Diarra, J ; Bettayeb, K ; Gresh, N ; Meijer, L ; Ouamata, N ; Galons H Synthesis and biological evaluation of selective and potent cyclin-dependent kinase inhibitors Eur. J. Med. Chem., 2013, 56, 210-216
  • El Hage, K ; Piquemal, J-P ; Hobaika, Z ; Maroun, RG ; Gresh, N Could an anisotropic molecular mechanics/dynamics potential account for sigma hole effects in the complexes of halogenated compounds? J. Comput. Chem., 2013, 34, 1125-1135
  • Mellal, D ; Fonvielle, M ; Santarem, M ; Chemama, M ; Schneider, Y ; Iannazzo, L ; Braud, E ; Arthur, M ; Etheve-Quelquejeu, M Synthesis and biological evaluation of non-isomerizable analogues of Ala-tRNA(Ala) Org. Biomol. Chem., 2013, 11, 6161 – 6169
  • Fonvielle, M ; Li de la Sierra-Gallay, I ; El-Sagheer, A ; Lecerf, M ; Patin, D ; Mellal, D ; Mayer, C ; Blanot, D ; Gale, N ; Brown, T ; van Tilbeurgh, H ; Ethève-Quelquejeu, M ; Arthur, M The structure of FemX(Wv) in complex with a peptidyl-RNA conjugate: mechanism of aminoacyl transfer from Ala-tRNA(Ala) to peptidoglycan precursors Angewandte Chem., 2013, 125, 7419-7422
  • Triboulet, S ; Dubée, V ; Lecoq, L ; Bougault, C ; Mainardi, J-L ; Rice, LB ; Ethève-Quelquejeu, M ; Gutmann, L ; Marie, A ; Dubost, L ; Hugonnet, J-E ; Simorre, J-P ; Arthur, M Kinetic features of L,D-transpeptidase inactivation critical for β-lactam antibacterial activity. PloS One, 2013, 8, e67831
  • Leclerc, E ; Pannecoucke, X ; Etheve-Quelquejeu, M ; Sollogoub, M Fluoro-C-glycosides and fluoro-carbasugars, hydrolytically stable and synthetically challenging glycomimetics Chem. Soc. Rev., 2013, 42, 4270-4283
  • Fonvielle, M ; Mellal, D ; Patin, D ; Lecerf, M ; Blanot, D ; Bouhss, A ; Santarem, M ; Mengin-Lecreulx, D ; Sollogoub, M ; Arthur, M ; Ethève-Quelquejeu, M Efficient access to peptidyl-RNA conjugates for picomolar inhibition of non-ribosomal FemX(Wv) aminoacyl transferase. Chem. Eur. J., 2013, 19, 1357-1363
  • Demange, L ; Nait Abdellah, F ; Lozach, O ; Ferandin, Y ; Gresh, N ; Meijer, L ; Galons, H Potent inhibitors of CDK5 derived from roscovitine: synthesis, biological evaluation and molecular modeling Bioorg. Med. Chem. Lett., 2013, 23, 125-131
  • Demange, L ; Lozach, O ; Ferandin, Y ; Hoang, NT ; Meijer, L ; Galons, H Synthesis and evaluation of new potent inhibitors of CK1 and CDK5: two kinases involved in Alzheimer’s disease Med. Chem. Res., 2013, 22, 3247-3258
  • Dao, P ; Jarray, R ; Lietha, D ; Loukaci, A ; Garbay, C ; Raynaud, F ; Chen, H Synthesis of novel diarylamino-1,3,5-triazine derivatives as FAK inhibitors with their anti-angiogenic activity Bioorg. Med. Chem. Lett., 2013, 23, 4552-4556
  • Dao, P ; Garbay, C ; Chen, H Regioselective synthesis of imidazo[1,2-a][1,3,5]triazines and 3,4-dihydro-imidazo[1,2-a][1,3,5]triazines from [1,3,5]triazine-2,4-diamines Tetrahedron, 2013, 69, 3867-3871

2012
  • Rose, E ; Raoul, N ; Etheve-Quelquejeu, M ; Gallo, E ; Boitrel, B ; Pecaut, J ; Dubois, L Crystal structure of a chiral binaphthyl porphyrin J. Porphyrins Phthalocyanines, 2012, 16, 324-330
  • Allain, B ; Jarray, R ; Borriello, L ; Leforban, B ; Dufour, S ; Liu, W-Q ; Pamonsinlapatham, P ; Bianco, S ; Larghero, J ; Hadj-Slimane, R ; Garbay, C ; Raynaud, F ; Lepelletier, Y Neuropilin-1 regulates a new VEGF-induced gene, Phactr-1, which controls tubulogenesis and modulates lamellipodial dynamics in human endothelial cells Cell Signal., 2012, 1, 214-223
  • N'gompaza-Diarra, J ; Bettayeb, K ; Gresh, N ; Meijer, L ; Oumata, N Synthesis and biological evaluation of selective and potent cyclin-dependent kinase inhibitors Eur. J. Med. Chem., 2012, 56, 210-216
  • Lecourt, S ; Lepelletier, Y ; Vanneaux, V ; Jarray, R ; Domet, T ; Raynaud, F ; Hadj-Slimane, R ; Cras, A ; Hermine, O ; Marolleau, JP ; Larghero, J Human Muscle Progenitor Cells Displayed Immunosuppressive Effect through Galectin-1 and Semaphorin-3A Stem Cells Int., 2012, 2012:412610
  • Sarkis, M ; Tran, DN ; Kolb, S ; Miteva, MA ; Villoutreix, BO ; Garbay, C ; Braud, E Design and synthesis of novel bis-thiazolone derivatives as micromolar CDC25 phosphatase inhibitors: Effect of dimerisation on phosphatase inhibition Bioorg. Med. Chem. Lett., 2012, 22, 7345-7350
  • Dubée, V ; Arthur, M ; Fief, H ; Triboulet, S ; Mainardi, JL ; Gutmann, L ; Sollogoub, M ; Rice, LB ; Ethève-Quelquejeu, M ; Hugonnet, JE Kinetic analysis of Enterococcus faecium L,D-transpeptidase inactivation by carbapenems Antimicrob. Agents Chemother., 2012, 56, 3409-3412
  • Dubée, V ; Triboulet, S ; Mainardi, JL ; Ethève-Quelquejeu, M ; Gutmann, L ; Marie, A ; Dubost, L ; Hugonnet, JE ; Arthur M Inactivation of Mycobacterium tuberculosis L,D-transpeptidase LdtMt₁ by carbapenems and cephalosporins Antimicrob. Agents Chemother., 2012, 56, 4189-4195
  • Dao, P ; Garbay, C ; Chen, H High yielding microwave-assisted synthesis of tri-substituted 1,3,5-triazines using Pd-catalyzed aryl and heteroarylamination Tetrahedron, 2012, 68, 3856-3860

2011
  • Jarray, R; Allain, B; Borriello, L; Biard, D; Loukaci, A; Larghero, J; Hadj‐Slimane, R; Garbay, C; Lepelletier, Y; Raynaud, F Depletion of the novel protein PHACTR‐1 from human endothelial cells abolishes tube formation and induces cell death receptor apoptosis Biochimie, 2011, (93), 1668‐1675
  • Besset, T; Braud, E; Jarray, R; Garbay, C; Kolb, S; Léo, PM; Morin, C. Preparation and evaluation of a set of bis‐(methoxycarbonylmethylthio)‐heteroquinones as CDC25B phosphatase inhibitors Eur. J. Chem. 2011, 2, 433‐440
  • Roux, C ; Bhatt, F ; Foret, J ; de Courcy, B ; Gresh, N ; Piquemal, JP ; Jeffery, C J ; Salmon L The reaction mechanism of type I phosphomannose isomerases: new information from inhibition and polarizable molecular mechanics studies Proteins, 2011, 79, 203‐220
  • Devereux, M ; Van Severen, MC ; Parisel, O ; Piquemal, JP ; Gresh, N The role of cation polarization in holo‐ and hemi‐directed [Pb(H2O)n]2+ complexes and development of a Pb2+ polarizable force field J. Theor. Comput. Chem., 2011, 7, 138‐147
  • Gresh, N ; de Courcy, B ; Piquemal, JP ; Foret, J ; Courtiol‐Legourd, S ; Salmon, L Polarizable water networks in ligand‐metalloprotein recognition. Impact on the relative complexation energies of Zn‐dependent phosphomannose isomerase with D‐mannose 6‐phosphate surrogates J. Phys. Chem. B, 2011, 115, 8604‐8616
  • de Courcy, B ; Dognon, JP ; Clavaguera, C ; Gresh, N ; Piquemal, JP Interactions within the alcohol dehydrogenase Zn(II)‐metalloenzyme active site: interplay between subvalence, electron correlation/dispersion, and charge transfer/induction effects Int. J. Quantum Chem., 2011, 111, 1213‐1221
  • Chaudret, R ; Gresh, N ; Parisel, O ; Piquemal, JP Many‐body Exchange‐Repulsion in Polarizable Molecular Mechanics. I. Orbital based approximations and applications to hydrated metal cation complexes J. Comput. Chem., 2011, 31, 2949‐2957
  • Lagorce, D ; Maupetit, J ; Baell, J ; Sperandio, O ; Tufféry, P ; Miteva, MA ; Galons, H ; Villoutreix, BO The FAF‐Drugs2 server: a multistep engine to prepare electronic chemical compound collections Bioinformatics, 2011, 27, 2018‐20
  • Reis, SD; Pang, Y; Vishnu, N; Voisset, C; Galons, H; Blondel, M; Sanyal, S Mode of action of the antiprion drugs 6AP and GA on ribosome assisted protein folding Biochimie, 2011, 93, 1047‐54
  • Barbezier, N; Chartier, A; Bidet, Y; Buttstedt, A; Voisset, C; Galons, H; Blondel, M; Schwarz, E; Simonelig, M Antiprion drugs 6‐aminophenanthridine and guanabenz reduce PABPN1 toxicity and aggregation in oculopharyngeal muscular dystrophy. EMBO Mol Med., 2011, 3, 35‐49
  • Gautier, B; Miteva, MA; Goncalves, V; Huguenot, F; Coric, P; Bouaziz, S; Seijo, B; Gaucher, JF; Broutin, I; Garbay, C; Lesnard, A; Rault, S; Inguimbert, N; Villoutreix, BO; Vidal, M Targeting the proangiogenic VEGF‐VEGFR protein‐protein interface with drug‐like compounds by in silico and in vitro screening. Chem. Biol., 2011, 18, 1631‐9

2010
  • Chen, H; Dao, P; Laporte, A; Garbay, C High yielding microwave‐assisted synthesis of 2‐(arylmethyl)amino‐4‐arylamino‐6‐alkyl‐1,3,5‐triazines Tetrahedron lett.. 2010, 51, 3174‐3176.
  • Bettayeb, K; Baunbæk, D; Delehouze, C; Loaëc, N; Hole, AJ; Baumli, S; Endicott, JA; Douc‐Rasy, S; Bénard, J; Oumata, N; Galons, H; Meijer, L CDK Inhibitors Roscovitine and CR8 Trigger Mcl‐1 Down‐Regulation and Apoptotic Cell Death in Neuroblastoma Genes Cancer. 2010, 4, 369‐80
  • Roux, C; Bhatt, F; Foret, J; de Courcy, B; Gresh, N; Piquemal, JP; Jeffery, CJ; Salmon, L The reaction mechanism of type I phosphomannose isomerases: New information from inhibition and polarizable molecular mechanics studies. Proteins, 2011, 1, 203‐20