Pascal BONNET

BONNET Pascal

Professeur, Université d'Orléans

Bio-informatique Structurale et Chémoinformatique
Institut de Chimie Organique et Analytique
université d'Orléans - Pôle de chimie
rue de Chartres - BP 6759
45067 Orléans Cedex 2
France


Téléphone : 02 38 41 72 54



Thèmes de recherche: 

Chémoinformatique, Modélisation moléculaire, chimiométrie, ligand-based drug design, fragment-based drug design, kinase research

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Biographie: 

In 2012, Pascal Bonnet joined the Institute of Organic and Analytical Chemistry (ICOA) from the University of Orléans as full professor. He set up the team “Structural Bioinformatics and Chemoinformatics”, which develops and integrates novel computational methods for drug discovery. His research interests also focus on the development of an integrative in silico platform for kinase research. Since 2016, he was appointed director of the ICOA. After completing his PhD in 2001 at the University of Orléans (France) and the University of Barcelona (Spain), he moved to a postdoctoral position at the University of Manchester, UK. As a scientist, he joined Janssen-Cilag in France and then Janssen-Pharmaceutica in Belgium in 2003.  He was involved in several drug discovery projects mainly in the oncology therapeutic area. Promoted Principal Scientist in 2010, he was leading the Kinase Platform at Janssen. He contributed to the development of a clinical drug candidate, erdafitinib, a kinase inhibitor discovered by FBDD approvd in April 2019.

 

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Responsabilités scientifiques: 
  • Responsable de l'équipe Bioinformatique Structurale et Chémoinformatique

 

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Responsabilités administratives: 
  • Directeur de l'ICOA (2016 - présent)
  • Directeur adjoint de la Chimiothèque Nationale
  • Membre du comité exécutif du TGIR ChemBioFrance

 

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Liens Bibliographiques et Réseaux Sociaux: 

GoogleScholar: https://scholar.google.fr/citations?user=n0Ae78wAAAAJ&hl

ResearchGate: https://www.researchgate.net/profile/Pascal_Bonnet

Publons: https://publons.com/researcher/2778267/pascal-bonnet/

LinkedIn: https://fr.linkedin.com/in/bonnetpascal/

Twitter : https://twitter.com/pb0nnet

ORCID : https://orcid.org/0000-0001-6485-138X

Web of Science ResearchID : https://publons.com/researcher/F-7887-2011/

 

 

 

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Adhésion à des associations professionnelles ou membres des sociétés savantes: 

GDR Chemoinformatcs (now GDR BigDataChim) : http://gdr-bigdatachim.cn.cnrs.fr/web/accueil

GDR BigDataChim : http://gdr-bigdatachim.cn.cnrs.fr/web/accueil

GIS Chimiothèque Natonale : http://chimiotheque-nationale.fr

TGIR ChemBioFrance: http://chembiofrance.fr/en/

SFCi : http://www.chemoinformatique.fr/

LabEx SYNORG : https://www.labex-synorg.fr/

Cancéropôle Grand-Ouest : http://www.canceropole-grandouest.com/

 

 

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Valorisation: 

10- WO2018138356A1

RORgamma modulators and uses thereof / MODULATEURS DE RORGAMMA ET LEURS UTILISATIONS

Jean-François DELHOMEL, Enrico PERSPICACE, Zouher Majd, Peggy Parroche, Robert Walczak, Pascal Bonnet, Jade Fogha

https://bases-brevets.inpi.fr/fr/document/WO2018138356.html

 

9- WO2018091647

Selective c-FLIP inhibitors as Anticancer Agnets / INHIBITEURS SÉLECTIFS DE C-FLIP EN TANT QU'AGENTS ANTICANCÉREUX

Katherine YAACOUB, Thierry Guillaudeux, Richard Daniellou, Pierre LAFITE, Samia ACI-SECHE, Pascal Bonnet

https://bases-brevets.inpi.fr/fr/document/WO2018091647.html

 

8- WO2017013135A1

Composes polyazotes et leurs utilisations comme chromophores fluorescents

Franck Suzenet, Doina SIRBU, Gérald Guillaumet, Pascal Bonnet

https://bases-brevets.inpi.fr/fr/document/WO2017013135.html

 

7- WO2016102633A1

Heterocyclic derivatives as rorgamma modulators  / Dérivés hétérocycliques en tant que modulateurs rorgamma

Jean-François DELHOMEL, Robert Walczak, Zouher Majd, Emilie PIHAN, Pascal Bonnet, Enrico PERSPICACE

https://bases-brevets.inpi.fr/fr/document/WO2016102633.html

 

6- US20130053379A1 - US8609836B2

4-aryl-2-anilino-pyrimidines

Peter Jacobus Johannes Buijnsters, Marc Gustaaf Celine Verdonck, Pascal Ghislain André Bonnet,  Kristof Van Emelen

https://patents.google.com/patent/US8609836

 

5- WO2011135376A1

Pyrazolyl quinoxaline kinase inhibitors / Inhibiteurs de pyrazolyl-quinazoline kinase

Gordon Saxty, Christopher William Murray, Valerio Berdini, Gilbert Ebai Besong, Christopher Charles Frederick Hamlett, Christopher Norbert Johnson, Steven John Woodhead, Michael Reader, David Charles Rees, Laurence Anne Mevellec, Patrick René Angibaud, Eddy Jean Edgard Freyne, Tom Cornelis Hortense Govaerts, Johan Erwin Edmond Weerts, Timothy Pietro Suren Perera, Ronaldus Arnodus Hendrika Joseph Gilissen, Berthold Wroblowski, Jean Fernand Armand Lacrampe, Alexandra Papanikos, Olivier Alexis Georges Querolle, Elisabeth Thérèse Jeanne Pasquier, Isabelle Noëlle Constance Pilatte, Pascal Ghislain André Bonnet, Werner Constant Johan Embrechts, Rhalid Akkari, Lieven Meerpoel

https://bases-brevets.inpi.fr/fr/document/WO2011135376.html

 

4- WO2010119285A1

Imidazo [1,2-A]pyridine derivatives as FGFR kinase inhibitors for use in therapy / Dérivés d'imidazo[1,2-a]pyridine en tant qu'inhibiteurs de fgfr kinases destinés à être utilisés en thérapeutique

Gordon Saxty, Valerio Berdini, Christopher William Murray, Eddy Jean Edgard Freyne, Yannick Aimé Eddy Ligny, Pascal Ghislain André BONNET, Berthold Wroblowski, Alexandra Papanikos

https://bases-brevets.inpi.fr/fr/document/WO2010119285.html

 

3- WO2010002846A1

Differentiation of Pluripotent Stem Cells

Janet Davis, Jiajian Liu, Christine Parmenter, Pascal Ghislain André Bonnet

https://bases-brevets.inpi.fr/fr/document/WO2010002846.html

 

2- WO2009016132A1

Pyrrolopyrimidines / Pyrrolopyrimidines useful for the treatment of proliferative diseases

Gaston Stanislas Marcella Diels, Peter Ten Holte, Eddy Jean Edgard Freyne, Thierry Andre Regis Grand-Perret, Kristof Van Emelen, Werner Constant Johan Embrechts, Pascal Ghislain André BONNET

https://bases-brevets.inpi.fr/fr/document/WO2009016132.html

 

1- WO2009112439A1

4-aryl-2-anilino-pyrimidines as plk kinase inhibitors

Peter Jacobus Johannes Antonius Buijnsters, Marc Gustaaf Celine Verdonck, Kristof Van Emelen, Pascal Ghislain André Bonnet

https://bases-brevets.inpi.fr/fr/document/WO2009112439.html

 

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Publications: 

 

66. Comparative Assessment of Protein Kinase Inhibitors in Public Databases and in PKIDB

Bournez, C. ; Carles, F. ; Peyrat, G. ; Aci-Sèche, S. ; Bourg, S. ; Meyer, C. ; Bonnet, P.

Molecules 2020, 25, 3226. https://doi.org/10.3390/molecules25143226

 

65. Fr-PPIChem: An academic compound library dedicated to protein–protein interactions

Bosc, N. ; Muller, C. ; Hoffer, L. ; Lagorce, D. ; Bourg, S. ; Derviaux, C. ; Gourdel, M.-E. ; Rain, J.-C. ; Miller, T. W. ; Villoutreix, B. O. ; Miteva, M. A. ; Bonnet, P. ; Morelli, X. ; Sperandio, O. ; Roche, P.

ACS Chem. Biol. 2020, 15, 1566–1574. https://doi.org/10.1021/acschembio.0c00179

 

64. Identification of a new series of flavopiridol-like structures as kinase inhibitors with high cytotoxic potency

Ibrahim, N. ; Bonnet, P. ; Brion, J.-D. ; Peyrat, J.-F. ; Brignon, J. ; Levaique, H. ; Josselin, B. ; Robert, T. ; Colas, P. ; Bach, S. ; Messaoudi, S. ; Alami, M. ; Hamze

Eur. J. Med. Chem. 2020, 199, 112355. https://doi.org/10.1016/j.ejmech.2020.112355

 

63. Computational Analysis of Crystallization Additives for the Identification of New Allosteric Sites

Fogha, J. ; Diharce, J. ; Obled, A. ; Aci-Sèche, S. ; Bonnet, P.

ACS Omega 2020, 5, 2114-2122. https://doi.org/10.1021/acsomega.9b02697

 

62. VSPrep: A KNIME workflow for the preparation of molecular databases for virtual screening

Gally, J.-M. ; Bourg, S. ; Fogha, J. ; Do Q.T. ; Aci-Sèche, S. ; Bonnet, P.

Current Medicinal Chemistry 2020, in press https://doi.org/10.2174/0929867326666190614160451

 

61. Cinchona-based zwitterionic stationary phases: Exploring retention and enantioseparation mechanisms in supercritical fluid chromatography with a fragmentation approach

Raimbault, A. ; Ma, C.M.A. ; Ferri, M. ; Bäurer, S. ; Bonnet, P. ; Bourg, S. ; Lämmerhofer, M. ; West, C.

Journal of Chromatography A. 2020, 1612, 460689. https://doi.org/10.1016/j.chroma.2019.460689

 

60. Residence time prediction of type 1 and 2 kinase inhibitors from unbinding simulations

Braka, A. ; Garnier, N. ; Bonnet, P. ; Aci-Sèche, S.

Journal of Chemical Information and Modeling 2020, 60, 342-348. https ://doi.org/10.1021/acs.jcim.9b00497

 

59. LIM kinases, new therapeutic targets to treat cancers, neurological disorders and Neurofibromatosis: development of small molecule inhibitors

Vallee, B. ; Cosson, A. ; Doudeau, M. ; Godin, F. ; Champire, A. ; Lelievre, T. ; Ple, K. ; Braka, A. ; Aci-Seche, S. ; Garnier, N. ; Bonnet, P. ; Routier, S. ; Benedetti H.

Febs. Open Bio 2019, 9, 128.

 

58. In silico peptide ligation: iterative residue docking and linking as a new approach to predict protein-peptide interactions

Diharce, J. ; Cueto, M. ; Beltramo, M. ; Aucagne, V. ; Bonnet, P.

Molecules 2019, 24, 1351. https://doi.org/10.3390/molecules24071351

 

57. Development of novel and efficient processes for the synthesis of 5-amino and 5-iminoimidazo[1,2-a]imidazoles via three-component reaction catalyzed by zirconium(IV) chloride

Driowya, M. ; Guillot, R. ; Bonnet, P. ; Guillaumet, G.

Frontiers in Chemistry 2019, 7, 457-465. https://doi.org/10.3389/fchem.2019.00457

 

56. Hyphenation of ultra-high performance supercritical fluid chromatography with atmospheric pressure chemical ionisation high resolution mass spectrometry: Part 2. Study of chromatographic and mass spectrometry parameters for the analysis of natural non-polar compounds

Duval, J. ; Colas, C. ; Bonnet, P. ; Lesellier, E.

Journal of Chromatography A. 2019, 1596, 199-208. https://doi.org/10.1016/j.chroma.2017.06.016

 

55. An original class of small sized molecules as versatile fluorescent probes for cellular imaging

Sirbu, D. ; Diharce, J. ; Martinić, I. ; Chopin, N. ; Eliseeva, S. ; Guillaumet, G. ; Petoud, S. ; Bonnet, P. ; Suzenet, F.

Chemical Communications 2019, 54, 7776-7779. https://doi.org/10.1039/c9cc03765a

 

54. PKIDB: A curated, annotated and updated database of protein kinase inhibitors in clinical trials

Carles, F. ; Bourg, S. ; Meyer, C. ; Bonnet, P.

Molecules 2018, 23, 908. https://doi.org/10.3390/molecules23040908

 

53. Development of kinase inhibitors via metal-catalyzed C–H arylation of 8-alkyl-thiazolo[5,4-f ]-quinazolin-9-ones designed by fragment-growing studies

Couly, F. ; Harari, M. ; Dubouilh-Benard, C. ; Bailly, L. ; Petit, E. ; Diharce, J. ; Bonnet, P. ; Meijer, L. ; Fruit, C. ; Besson, T.

Molecules 2018, 23, 2181. https://doi.org/10.3390/molecules23092181

 

52. Synthesis of novel series of 7,7′-(substituted methylene)bis-imidazo[1,2-b]pyrazoles via an acid catalyzed one-pot three-component reaction

Driowya, M. ; Allouchi, H. ; Gally, J.-M. ; Bonnet, P. ; Guillaumet, G.

New Journal of Chemistry 2018, 42, 5728-5741. https://doi.org/10.1039/C7NJ05088G

 

51. Thermodynamic enantioseparation behavior of phenylthiohydantoin-amino acid derivatives in supercritical fluid chromatography on polysaccharide chiral stationary phases

Khater, S. ; Canault, B. ; Azzimani, T. ; Bonnet, P. ; West, C.

Journal of Separation Science 2018, 41, 1450-1459. https://doi.org/10.1002/jssc.201701196

 

50. Structure-based design of novel quinoxaline-2-carboxylic acids and analogues as Pim-1 inhibitors

Oyallon, B. ; Brachet-Botineau, M. ; Logé, C. ; Bonnet, P. ; Souab, M. ; Robert, T. ; Ruchaud, S. ; Bach, S. ; Berthelot, P. ; Gouilleux, F. ; Viaud-Massuard, M. C. ; Denevault-Sabourin, C.

European Journal of Medicinal Chemistry 2018, 154, 101-109. https://doi.org/10.1016/j.ejmech.2018.04.056

 

49. Enhanced molecular dynamics methods applied to drug design projects

Ziada, S. ; Braka, A. ; Diharce, J. ; Aci-Sèche, S. ; Bonnet, P.

Methods in Molecular biology 2018, 1762, 403-426. https://doi.org/10.1007/978-1-4939-7756-7_20

 

48. Conception of DYRK1A kinase inhibitors via metal-catalyzed C–H arylation, inspired by fragment-growing studies

Couly, F. ; Diharce, J. ; Bonnet, P. ; Meijer, L. ; Fruit, C. ; Besson, T.

Proceedings of the 4th International Electronic Conference on Medicinal Chemistry session ECMC-4 2018. https://doi.org/10.3390/ecmc-4-05580

 

47. PrePeP – A tool for the identification and characterization of pan assay interference compounds

Koptelov, M. ; Zimmermann, A. ; Bonnet, P. ; Bureau, R. ; Crémilleux, B.

Proceedings of the 24th ACM SIGKDD International Conference on Knowledge Discovery & Data Mining 2018, 462-471.

 

46. The use of novel selectivity metrics in kinase research

Bosc, N. ; Meyer, C. ; Bonnet, P.

BMC Bioinformatics 2017, 18, 17. https://doi.org/10.1186/s12859-016-1413-y

 

45. Prediction of protein kinase-ligand interactions through 2.5D kinochemometrics

Bosc, N. ; Wroblowski, B. ; Meyer, C. ; Bonnet, P.

Journal of Chemical Information and Modeling 2017, 57, 93-101. https://doi.org/10.1021/acs.jcim.6b00520

 

44. Comprehensive Network Map of ADME-Tox Databases

Canault, B. ; Bourg, S. ; Vayer, P. ; Bonnet, P.

Molecular Informatics 2017, 36, 1700029. https://doi.org/10.1002/minf.201700029

 

43. VSPrep: A general KNIME workflow for the preparation of molecules for virtual screening

Gally, J.-M. ; Bourg, S. ; Do Q.T. ; Aci-Sèche, S. ; Bonnet, P.

Molecular Informatics 2017, 36, 1700023. https://doi.org/10.1002/minf.201700023

 

42. Enantioseparation of novel chiral sulfoxides on chlorinated polysaccharide stationary phases in supercritical fluid chromatography

West, C. ; Konjaria, M. L. ; Shashviashvili, N. ; Lemasson, E. ; Bonnet, P. ; Kakava, R. ; Volonterio, A. ; Chankvetadze, B.

Journal of Chromatography A. 2017, 1499, 174-182. https://doi.org/10.1016/j.chroma.2017.03.089

 

41. Advanced molecular dynamics simulation methods for kinase drug discovery

Aci-Sèche, S. ; Ziada, S. ; Braka, A. ; Arora, R. ; Bonnet, P.

Future Medicinal Chemistry 2016, 8, 545-566. https://doi.org/10.4155/fmc.16.9

 

40. Structural basis for selective recognition of acyl chains by the membrane-associated acyltransferase PatA

Albesa-Jove, D. ; Svetlikova, Z. ; Tersa, M. ; Sancho-Vaello, E. ; Carreras-Gonzalez, A. ; Bonnet, P. ; Arrasate, P. ; Eguskiza, A. ; Angala, S. K. ; Cifuente, J. O. ; Kordulakova, J. ; Jackson, M. ; Mikusova, K. ; Guerin, M. E.

Nature Communications 2016, 7, 10906. https://doi.org/10.1038/ncomms10906

 

39. Correction to structural investigation of B-Raf paradox breaker and inducer inhibitors

Arora, R. ; Di Michele, M. ; Stes, E. ; Vandermarliere, E. ; Martens, L. ; Gevaert, K. ; Van Heerde, E. ; Linders, J. T. M. ; Brehmer, D. ; Jacoby, E. ; Bonnet, P.

Journal of Medicinal Chemistry 2016, 59, 6973. https://doi.org/10.1021/acs.jmedchem.6b00941

 

38. An unusual binding model of the methyl 9-anilinothiazolo[5,4-f] quinazoline-2-carbimidates (EHT 1610 and EHT 5372) confers high selectivity for dual-specificity tyrosine phosphorylation-regulated kinases

Chaikuad, A. ; Diharce, J. ; Schroder, M. ; Foucourt, A. ; Leblond, B. ; Casagrande, A. S. ; Desire, L. ; Bonnet, P. ; Knapp, S. ; Besson, T.

Journal of Medicinal Chemistry 2016, 59, 10315–10321. https://doi.org/10.1021/acs.jmedchem.6b01083

 

37. Novel optimization of valmerins (tetrahydropyrido[1,2-a]isoindolones) as potent dual CDK5/GSK3 inhibitors

Ouach, A. ; Boulahjar, R. ; Vala, C. ; Bourg, S. ; Bonnet, P. ; Guguen-Guillouzo, C. ; Ravache, M. ; Le Guével, R. ; Lozach, O. ; Lazar, S. ; Troin, Y. ; Meijer, L. ; Ruchaud, S. ; Akssira, M. ; Guillaumet, G. ; Routier, S.

European Journal of Medicinal Chemistry 2016, 115, 311-325. https://doi.org/10.1016/j.ejmech.2016.02.072

 

35. Structural investigation of B-raf paradox breaker and inducer inhibitors

Arora, R. ; Di Michele, M. ; Stes, E. ; Vandermarliere, E. ; Martens, L. ; Gevaert, K. ; Van Heerde, E. ; Linders, J. T. M. ; Brehmer, D. ; Jacoby, E. ; Bonnet, P.

Journal of Medicinal Chemistry 2015, 58, 1818-1831. https://doi.org/10.1021/jm501667n

 

34. A proteometric analysis of human kinome: insight into discriminant conformation-dependent residues

Bosc, N. ; Wroblowski, B. ; Aci-Sèche, S. ; Meyer, C. ; Bonnet, P.

ACS Chemical Biology 2015, 10, 2827-2840. https://doi.org/10.1021/acschembio.5b00555

 

33. Advances in tetrahydropyrido[1,2-a]isoindolone (valmerins) series: Potent glycogen synthase kinase 3 and cyclin dependent kinase 5 inhibitors

Boulahjar, R. ; Ouach, A. ; Bourg, S. ; Bonnet, P. ; Lozach, O. ; Meijer, L. ; Guguen-Guillouzo, C. ; Le Guével, R. ; Lazar, S. ; Akssira, M. ; Troin, Y. ; Guillaumet, G. ; Routier, S.

European Journal of Medicinal Chemistry 2015, 101, 274-287. https://doi.org/10.1016/j.ejmech.2015.06.046

 

32. Limited proteolysis combined with stable isotope labeling reveals conformational changes in protein (pseudo)kinases upon binding small molecules

Di Michele, M. ; Stes, E. ; Vandermarliere, E. ; Arora, R. ; Astorga-Wells, J. ; Vandenbussche, J. ; Van Heerde, E. ; Zubarev, R. ; Bonnet, P. ; Linders, J. T. M. ; Jacoby, E. ; Brehmer, D. ; Martens, L. ; Gevaert, K.

Journal of Proteome Research 2015, 14, 4179-4193. https://doi.org/10.1021/acs.jproteome.5b00282

 

31. Structure-based design of type II inhibitors applied to maternal embryonic leucine zipper kinase

Johnson, C. N. ; Adelinet, C. ; Berdini, V. ; Beke, L. ; Bonnet, P. ; Brehmer, D. ; Calo, F. ; Coyle, J. E. ; Day, P. J. ; Frederickson, M. ; Freyne, E. J. E. ; Gilissen, R. A. H. J. ; Hamlett, C. C. F. ; Howard, S. ; Meerpoel, L. ; Mevellec, L. ; McMenamin, R. ; Pasquier, E. ; Patel, S. ; Rees, D. C. ; Linders, J. T. M.

 ACS Medicinal Chemistry Letters 2015, 6, 31-6. https://doi.org/10.1021/ml5001273

 

30. Fragment-based discovery of type I inhibitors of maternal embryonic leucine zipper kinase

Johnson, C. N. ; Berdini, V. ; Beke, L. ; Bonnet, P. ; Brehmer, D. ; Coyle, J. E. ; Day, P. J. ; Frederickson, M. ; Freyne, E. J. E. ; Gilissen, R. A. H. J. ; Hamlett, C. C. F. ; Howard, S. ; Meerpoel, L. ; McMenamin, R. ; Patel, S. ; Rees, D. C. ; Sharff, A. ; Sommen, F. ; Wu, T. ; Linders, J. T. M.

ACS Medicinal Chemistry Letters 2015, 6, 25-30. https://doi.org/10.1021/ml5001245

 

29. Iron-catalyzed trifluoromethylation of enamide

Rey-Rodriguez, R. ; Retailleau, P. ; Bonnet, P. ; Gillaizeau, I.

Chemistry – A European Journal 2015, 21, 3572-3575. https://doi.org/10.1002/chem.201406333

 

28. Synthesis of dihydropyrimidine α,γ-diketobutanoic acid derivatives targeting HIV integrase

Sari, O. ; Roy, V. ; Metifiot, M. ; Marchand, C. ; Pommier, Y. ; Bourg, S. ; Bonnet, P. ; Schinazi, R.F. ; Agrofoglio, L. A.

European of Journal Medicinal Chemistry 2015, 104, 127-138. https://doi.org/10.1016/j.ejmech.2015.09.015

 

27. Exploring protein kinase conformation using swarm-enhanced sampling molecular dynamics

Atzori, A. ; Bruce, N.J. ; Burusco, K.K. ; Wroblowski, B. ; Bonnet, P. ; Bryce, R. A.

Journal of Chemical Information and Modeling 2014, 54, 2764-2775. https://doi.org/10.1021/ci5003334

 

26. Specific inhibition of DNMT1/CFP1 reduces cancer phenotypes and enhances chemotherapy effectiveness

Cheray, M. ; Nadaradjane, A. ; Bonnet, P. ; Routier, S. ; Valette, F. M. ; Cartron, P. F.

Epigenomics 2014, 3, 267-275. https://doi.org/10.2217/epi.14.18

 

25. Synthesis and optimization of an original V-shaped collection of 4-7-disubstituted pyrido[3,2-d]pyrimidines as CDK5 and DYRK1A inhibitors

Dehbi, O. ; Tikad, A. ; Bourg, S. ; Bonnet, P. ; Lozach, O. ; Meijer, L. ; Aadil, M. ; Akssira, M. ; Guillaumet, G. ; Routier, S.

European Journal of Medicinal Chemistry 2014, 80, 352-363. https://doi.org/10.1016/j.ejmech.2014.04.055

 

24. The azaindole framework in the design of kinase inhibitors

Mérour, J. Y. ; Buron, F. ; Plé, K. ; Bonnet, P. ; Routier, S.

Molecules 2014, 19, 19935-19979. https://doi.org/10.3390/molecules191219935

 

23. Design, synthesis, and biological activity of pyridopyrimidine scaffolds as novel PI3K/mTOR dual inhibitors

Saurat, T. ; Buron, F. ; Rodrigues, N. ; De Tauzia, M. L. ; Colliandre, L. ; Bourg, S. ; Bonnet, P. ; Guillaumet, G. ; Akssira, M. ; Corlu, A. ; Guillouzo, C. ; Berthier, P. ; Rio, P. ; Jourdan, M.-L. ; Bénédetti, H. ; Routier, S.

Journal of Medicinal Chemistry 2014, 57, 613-631. https://doi.org/10.1021/jm401138v

 

22. Les chimiothèques et le criblage virtuel (Chemical databases and virtual screening)

Rognan, D. ; Bonnet, P.

Medecine Sciences 2014, 30, 1152-1160. https://doi.org/10.1051/medsci/20143012019

 

21. Discovery of JNJ-42756493, a potent fibroblast growth factor receptor (FGFR) inhibitor using a fragment based approach

Angibaud, P.R. ; Mevellec, L. ; Saxty, G. ; Adelinet, C. ; Akkari, R. ; Berdini, V. ; Bonnet, P. ; Bourgeois, M. ; Bourdrez, X. ; Cleasby, A. ; Colombel, H. ; Csoka, I. ; Embrechts, W. ; Freyne, E. ;  Gilissen, R. ; Jovcheva, E. ; King, P. ; Lacrampe, J. ; Lardeau, D. ; Ligny, Y. ; Mcclue, S. ; Meerpoel, L. ; Newell, R.R. ; Page, M. ; Papanikos, A. ; Pasquier, E. ; Pilatte, E. ; Poncelet, V. ; Querolle, O. ; Rees, D.C. ; Rich, S. ; Roux, B. ; Sement, E. ; Simonnet, Y. ; Squires, M. ; Tronel, V. ; Verhulst, T. ; Vialard, J. ; Willems, M. ; Woodhead, S.J. ; Wroblowski, B. ; Murray, C.W. ; Perera, T.

Cancer Research 2014, 74, 4748. https://doi.org/10.1158/1538-7445.AM2014-4748

 

20. Effect of sequence and stereochemistry reversal on p53 peptide mimicry

Atzori, A. ; Baker, A. E. ; Chiu, M. ; Bryce, R. A. ; Bonnet, P.

PLoS ONE 2013, 8, e68723. https://doi.org/10.1371/journal.pone.0068723

 

19. New QSAR models for human cytochromes P450, 1A2, 2D6 and 3A4 implicated in the metabolism of drugs. relevance of dataset on model development

Martinez-Sanz, J. ; Bonnet, P. ; Lozano, S. ; Arrault, Al. ; Morin-Allory, L. ; Vayer, P.

Molecular Informatics 2013, 32, 573-577. https://doi.org/10.1002/minf.201300031

 

18. Diastereoselective Metal‐Catalyzed Synthesis of C‐Aryl and C‐Vinyl Glycosides

Nicolas, L. ; Angibaud, P. ; Stansfield, I. ; Bonnet, P. ; Meerpoel, L. ; Reymond, S. ; Cossy, J.

Angewandte Chemie International Edition 2012, 51, 11101-11104. https://doi.org/10.1002/anie.201204786

 

17. Two-Step One-Pot Synthesis of Benzoannulated Spiroacetals by Suzuki–Miyaura Coupling/Acid-Catalyzed Spiroacetalization

Butkevich, A.N. ; Corbu, A. ; Meerpoel, L. ; Stansfield, I. ; Angibaud, P. ; Bonnet, P. ; Cossy, J.

Organic Letters 2012, 14, 4998-5001. https://doi.org/10.1021/ol302088w

 

16. Is chemical synthetic accessibility computationally predictable for drug and lead-like molecules? A comparative assessment between medicinal and computational chemists

Bonnet, P.

European Journal of Medicinal Chemistry 2012, 54, 679-689. https://doi.org/10.1016/j.ejmech.2012.06.024

 

15. Targeting the inactive conformation of protein kinases: computational screening based on ligand conformation

Bonnet, P. ; Mucs, D. ; Bryce, R.A.

MedChemComm 2012, 3, 434-440. https://doi.org/10.1039/C1MD00256B

 

14. Application of shape-based and pharmacophore-based in silico screens for identification of Type II protein kinase inhibitors

Mucs, D. ; Bryce, R.A. ; Bonnet, P.

Journal of Computer-Aided Molecular Design 2011, 25, 569-581. https://doi.org/10.1007/s10822-011-9442-0

 

13. Fragment based drug discovery of selective inhibitors of fibroblast growth factor receptor (FGFR)

Saxty, G. ; Akkari, R. ; Angibaud, P. ; Arts, J. ; Benderitter, P. ; Berdini, V. ; Bonnet, P. ; Cleasby, A. ; Csoka, I. ; Embrechts, W. ; Freyne, E. ; Gilissen, R. ; King, P. ; Lacrampe, J. ; Lewis, E.J. ; Ligny, Y. ; Madin, A. ; McClue, S. ; Mevellec, L ; Murray, C.W. ; Newell, H. ; Page, M. ; Papanikos, A. ; Perera, T. ; Poncelet, V. ; Querolle, O. ; Rees, D.C. ; Rich, S.J. ; Roux, B. ; Saalau-Bethell, S.M. ; Sement, E. ; Simmonet, Y. ; Squires, M. ; Tronel, V. ; Ward, G.A. ; Willems, M. ; Wroblowski, B. ; Thompson, N.T.

Proceedings : 102nd AACR Annual Meeting, 2011, 2-6. https://doi.org/10.1158/1538-7445.AM2011-1361

 

12. Autophosphorylation of polo-like kinase 4 and its role in centriole duplication

Sillibourne, J.E. ; Tack, F. ; Vloemans, N. ; Boeckx, A. ; Thambirajah, S. ; Bonnet, P. ; Ramaekers, F. C. S. ; Bornens, M. ; Grand-Perret T.

Molecular Biology of the Cell 2010, 21, 547-561. https://doi.org/10.1091/mbc.E09-06-0505

 

11. Conformational analysis of macrocycles: finding what common search methods miss

Bonnet, P. ; Agrafiotis, D.K. ; Zhu, F. ; Martin, E.

Journal of Chemical Information and Modeling 2009, 49, 2242-2259. https://doi.org/10.1021/ci900238a

 

10. Benzoic acid and pyridine derivatives as inhibitors of Trypanosoma cruzi trans-sialidase

Neres, J. ; Bonnet, P. ; Edwards, P.N. ; Kotian, P.L. ; Buschiazzo, A. ; Alzari, P.M. ; Bryce, R.A. ;  Douglas, K.T.

Bioorganic & Medicinal Chemistry 2007, 15, 2106-2119. https://doi.org/10.1016/j.bmc.2006.12.024

 

9. Exciplex fluorescence emission from simple organic intramolecular constructs in non-polar and highly polar media as model systems for DNA-assembled exciplex detectors

Bichenkova, E.V. ; Sardarian, A.R. ; Wilton, A.N. ; Bonnet, P. ; Bryce, R.A. ; Douglas, K.T.

Organic & Biomolecular Chemistry 2006, 4, 367-378. https://doi.org/10.1039/b511707k

 

8. Scoring binding affinity of multiple ligands using implicit solvent and a single molecular dynamics trajectory: application to influenza neuraminidase

Bonnet, P. ; Bryce, R.A.

Journal of Molecular Graphics and Modelling 2005, 24, 147-156. https://doi.org/10.1016/j.jmgm.2005.06.003

 

7. Molecular dynamics and free energy analysis of neuraminidase–ligand interactions

Bonnet, P. ; Bryce, R.A.

Protein Science 2004, 13, 946-957. https://doi.org/10.1110/ps.03129704

 

6. Study of the attachment of Na+ on glucose and on some of its methylated derivatives

Antonopoulos, A. ; Bonnet, P. ; Botek, E. ; Debrun, J. L. ; Hakim, B. ; Herbreteau, B. ; Morin-Allory,

Rapid Communications in Mass Spectrometry 2003, 17, 122-125. https://doi.org/10.1002/rcm.881

 

5. Molecular modeling study of the 2:1 γ-cyclodextrin : C60 complex. Dummy atoms simulating bond electron distribution

Bonnet, P. ; Beà, I. ; Jaime, C. ; Morin-Allory, L.

Supramolecular Chemistry 2003, 15, 251-260. https://doi.org/10.1080/1061027031000140176

 

4. Diastereomeric β-cyclodextrin complexes with cizorlitine and its carbinol. a molecular dynamics study

Beà, I. ; Jaime, C. ; Redondo, J. ; Bonnet, P. ; Torrens, A. ; Frigola, J.

Supramolecular Chemistry 2002, 14, 33-39. https://doi.org/10.1080/10610270290006637

 

3. Structure and thermodynamics of α-, β-, and γ-cyclodestrin dimers. Molecular dynamics studies of the solvent effect and free binding energies

Bonnet, P. ; Jaime, C. ; Morin-Allory, L.

The Journal of Organic Chemistry 2002, 67, 8602-8609. https://doi.org/10.1021/jo026166v

 

2. α-, β-,and γ-Cyclodextrin dimers. Molecular modeling studies by molecular mechanics and molecular dynamics simulations

Bonnet, P. ; Jaime, C. ; Morin-Allory, L.

The Journal of Organic Chemistry 2001, 66, 689-692. https://doi.org/10.1021/jo0008284

 

1. Etude par modélisation moléculaire de dimères de cyclodextrines et de leurs complexes d'inclusion

Bonnet, P.

Thèse en cotutelle Université d’Orléans et Universitat Autònoma de Barcelona, 1998-2001.

 

 

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