Biomolecules Modeling and Numerical Imaging

Team :

Publications :

1 - Andreoli, F.; Doukhara, A. L.; Mehdid, A. M.; Vanthuyne, N.; Roussel, C.; Dessolin, J.; Kraus, J. L.

Novel Phenyl(thio)ureas bearing (thio)oxothiazoline group as potential BACE-1 Inhibitors: synthesis and biological evaluation.

J. Enzym. Inhib. Med. Ch., 2013, 28, 153-162.

2 - Bidaud-Meynard, A.; Arma, D.; Taouji, S.; Laguerre, M.; Dessolin, J.; Rosenbaum, J.; Chevet, E.; Moreau, V.

A novel small-molecule screening strategy identifies mitoxantrone as a Rho-GTPase inhibitor.

Biochemical Journal, 2013, 450, 55-62.

3 - Pendem, N.; Douat-Casassus, C.; Claudon, P.; Laguerre, M.; Castano, S.; Desbat, B.; Cavagnat, D.; Ennifar, E.; Kauffmann, B.; Guichard, G.

Controlling Helix Formation in the alpha-Peptide Superfamilly: heterogeneous Foldamers with Urea/Amide and Urea/Carbamate Backbones.

Angewandte Chemie International Edition, 2013, , .

4 - Arbona, J. M.; Aime, J. P.; Elezgaray, J.

Folding of small origamis.

Journal of Chemical Physics, 2012, 136, 8.

-Abstract-

5 - Arbona, J. M.; Aime, J. P.; Elezgaray, J.

Modeling the mechanical properties of DNA nanostructures.

Physical Review E, 2012, 86, 11.

-Abstract-

6 - Arbona, J. M.; Elezgaray, J.; Aime, J. P.

Modelling the folding of DNA origami.

Epl, 2012, 100, 6.

-Abstract-

7 - Bag, B. G.; Garai, C.; Majumdar, R.; Laguerre, M.

Natural triterpenoids as renewable nanos.

Structural Chemistry, 2012, 23, 393-398.

-Abstract-

8 - Bijani, C.; Arnarez, C.; Brasselet, S.; Degert, C.; Broussaud, O.; Elezgaray, J.; Dufourc, E. J.

Stability and Structure of Protein-Lipoamino Acid Colloidal Particles: Toward Nasal Delivery of Pharmaceutically Active Proteins.

Langmuir, 2012, 28, 5783-5794.

-Abstract-

9 - Cala, O.; Dufourc, E. J.; Fouquet, E.; Manigand, C.; Laguerre, M.; Pianet, I.

The Colloidal State of Tannins Impacts the Nature of Their Interaction with Proteins: The Case of Salivary Proline-Rich Protein/Procyanidins Binding.

Langmuir, 2012, 28, 17410-17418.

-Abstract-

10 - Calleja, V.; Laguerre, M.; Larijani, B.

Role of the C-terminal regulatory domain in the allosteric inhibition of PKB/Akt.

Advances in Biological Regulation, 2012, 52, 46-57.

11 - Dufourc, E.; Buchoux, S.; Toupe, J.; Sani, M.-A.; Jean-Francois, F.; Khemtemourian, L.; Grelard, A.; Loudet-Courreges, C.; Laguerre, M.; Elezgaray, J.; Desbat, B.; Odaert, B.

Membranes interacting peptides: From killers to helpers.

Curr. Prot. Pept. Sci., 2012, 13, 620-631.

12 - Elkaim, J.; Castroviejo, M.; Bennani, D.; Taouji, S.; Allain, N.; Laguerre, M.; Rosenbaum, J.; Dessolin, J.; Lestienne, P.

First identification of small-molecule inhibitors of Pontin by combining virtual screening and enzymatic assay.

Biochemical Journal, 2012, 443, 549-559.

-Abstract-

13 - Ferrand, Y.; Chandramouli, N.; Kendhale, A. M.; Aube, C.; Kauffmann, B.; Grelard, A.; Laguerre, M.; Dubreuil, D.; Huc, I.

Long-Range Effects on the Capture and Release of a Chiral Guest by a Helical Molecular Capsule.

Journal of the American Chemical Society, 2012, 134, 11282-11288.

-Abstract-

14 - Lamblin, M.; Bares, H.; Dessolin, J.; Marty, C.; Bourgougnon, N.; Felpin, F. X.

Practical Pd/C-Catalysed Suzuki-Miyaura Reactions for the Preparation of 3-Aryl-4-oxypyridin-2(1H)-ones, 3-Aryl-2,4-oxypyridines and 3-Aryl-2,4-oxyquinolines as Useful Intermediates for the Synthesis of Biologically Active Compounds.

European Journal of Organic Chemistry, 2012, , 5525-5533.

-Abstract-

15 - Lamblin, M.; Naturale, G.; Dessolin, J.; Felpin, F. X.

Direct C-H Arylation of Quinones with Anilines.

Synlett, 2012, , 1621-1624.

-Abstract-

16 - Lamblin, M.; Sallustrau, A.; Commandeur, C.; Cresteil, T.; Felpin, F. X.; Dessolin, J.

Synthesis and biological evaluation of hydrophilic embelin derivatives.

Tetrahedron, 2012, 68, 4655-4663.

-Abstract-

17 - Naturale, G.; Lamblin, M.; Commandeur, C.; Felpin, F. X.; Dessolin, J.

Direct C-H Alkylation of Naphthoquinones with Amino Acids Through a Revisited Kochi-Anderson Radical Decarboxylation: Trends in Reactivity and Applications.

European Journal of Organic Chemistry, 2012, , 5774-5788.

-Abstract-

18 - Pribat, A.; Sormani, R.; Rousseau-Gueutin, M.; Julkowska, M. M.; Testerink, C.; Joubes, J.; Castroviejo, M.; Laguerre, M.; Meyer, C.; Germain, V.; Rothan, C.

A novel class of PTEN protein in Arabidopsis displays unusual phosphoinositide phosphatase activity and efficiently binds phosphatidic acid.

Biochemical Journal, 2012, 441, 161-171.

-Abstract-

19 - Song, J.; Arbona, J. M.; Zhang, Z.; Liu, L.; Xie, E. Q.; Elezgaray, J.; Aime, J. P.; Gothelf, K. V.; Besenbacher, F.; Dong, M. D.

Direct Visualization of Transient Thermal Response of a DNA Origami.

Journal of the American Chemical Society, 2012, 134, 9844-9847.

-Abstract-

20 - Taib, N.; Ahissan, A.; Moreau, L.; Camplo, M.; Houmadi, S.; Desbat, B.; Laguerre, M.; Grinstaff, M.; Bestel, I.; Barthelemy, P.

Supramolecular systems formation directed by via nucleoside-lipid recognition.

J. of Colloid and Interface Science, 2012, 337, 122-130.

21 - Taib, N.; Aime, A.; Houmadi, S.; Castano, S.; Barthelemy, P.; Laguerre, M.; Bestel, I.

Chemical details on nucleolipid supramolecular architecture: molecular modelling and physicochemical studies.

Langmuir, 2012, 28, 7452-7460.

22 - Andreoli, F.; Doukara, A. L.; Mehdid, A. M.; Vanthuine, N.; Roussel, C.; Dessolin, J.; Kraus, J. L.

Novel phenyl(thio)ureas bearing (thio)oxotiazoline group as potential BACE-1 inhibitors: synthesis and biological evaluation.

J. Enzym. Inhib. Med. Ch., 2011, , .

23 - Berguiga, L.; Roland, T.; Monier, K.; Elezgaray, J.; Argoul, F.

Amplitude and phase images of cellular structures with a scanning surface plasmon microscope.

Optics Express, 2011, 19, 6571-6586.

-Abstract-

24 - Boal, F.; Laguerre, M.; Milochau, A.; Lang, J. C.; Scotti, P. A.

A charged prominence in the linker domain of the cysteine-string protein Csp alpha mediates its regulated interaction with the calcium sensor synaptotagmin 9 during exocytosis.

Faseb Journal, 2011, 25, 132-143.

-Abstract-

25 - Bruyere, C.; Madonna, S.; Van Goietsenoven, G.; Mathieu, V.; Dessolin, J.; Kraus, J. L.; Lefranc, F.; Kiss, R.

JLK1486, a Bis 8-Hydroxyquinoline-Substituted Benzylamine, Displays Cytostatic Effects in Experimental Gliomas through MyT1 and STAT1 Activation and, to a Lesser Extent, PPAR gamma Activation.

Translational Oncology, 2011, 4, 126-U97.

-Abstract-

26 - Cala, O.; Fabre, S.; Pinaud, N.; Dufourc, E. J.; Fouquet, E.; Laguerre, M.; Pianet, I.

Towards a Molecular Interpretation of Astringency: Synthesis, 3D Structure, Colloidal State, and Human Saliva Protein Recognition of Procyanidins.

Planta Medica, 2011, 77, 1116-1122.

-Abstract-

27 - Fezoua-Boubegtiten, Z.; Desbat, B.; Brisson, A.; Gounou, C.; Laguerre, M.; Lecomte, S.

Effect of Mg2+ versus Ca2+ on the behavior of Annexin A5 in a membrane-bound state.

European Biophysics Journal with Biophysics Letters, 2011, 40, 641-649.

-Abstract-

28 - Goncalves, R.; Mateus, N.; Pianet, I.; Laguerre, M.; de Freitas, V.

Mechanisms of Tannin-Induced Trypsin Inhibition: A Molecular Approach.

Langmuir, 2011, 27, 13122-13129.

-Abstract-

29 - Reigadas, S.; Masquelier, B.; Calmels, C.; Laguerre, M.; Lazaro, E.; Vandenhende, M.; Neau, D.; Fleury, H.; Andreola, M. L.

Structure-Analysis of the HIV-1 Integrase Y143C/R Raltegravir Resistance Mutation in Association with the Secondary Mutation T97A.

Antimicrobial Agents and Chemotherapy, 2011, 55, 3187-3194.

-Abstract-

30 - Cala, O.; Pinaud, N.; Simon, C.; Fouquet, E.; Laguerre, M.; Dufourc, E. J.; Pianet, I.

NMR and molecular modeling of wine tannins binding to saliva proteins: revisiting astringency from molecular and colloidal prospects.

Faseb Journal, 2010, 24, 4281-4290.

-Abstract-

31 - Elezgaray, J.; Berguiga, L.; Argoul, F.

Optimization of branched resonant nanostructures illuminated by a strongly focused beam.

Applied Physics Letters, 2010, 97, .

-Abstract-

32 - Elezgaray, J.; Roland, T.; Berguiga, L.; Argoul, F.

Modeling of the scanning surface plasmon microscope.

Journal of the Optical Society of America a-Optics Image Science and Vision, 2010, 27, 450-457.

-Abstract-

33 - Laguerre, M.; Veenstra, J. A.

Ecdysone receptor homologs from mollusks, leeches and a polychaete worm.

Febs Letters, 2010, 584, 4458-4462.

-Abstract-

34 - Madonna, S.; Marcowycz, A.; Lamoral-Theys, D.; Van Goietsenoven, G.; Dessolin, J.; Pirker, C.; Spiegl-Kreinecker, S.; Biraboneye, C. A.; Berger, W.; Kiss, R.; Kraus, J. L.

Bis-8-hydroxyquinoline and Bis-8-hydroxyquinaldine N-Substituted Amines: A Single Methyl Group Structural Difference between the Two Heterocycles, Which Modulates the Antiproliferative Effects.

Journal of Heterocyclic Chemistry, 2010, 47, 719-723.

-Abstract-

35 - Masters, T. A.; Calleja, V.; Armoogum, D. A.; Marsh, R. J.; Applebee, C. J.; Laguerre, M.; Bain, A. J.; Larijani, B.

Regulation of 3-Phosphoinositide-Dependent Protein Kinase 1 Activity by Homodimerization in Live Cells.

Science Signaling, 2010, 3, .

-Abstract-

36 - Panya, A.; Laguerre, M.; Lecomte, J.; Villeneuve, P.; Weiss, J.; McClements, D. J.; Decker, E. A.

Effects of Chitosan and Rosmarinate Esters on the Physical and Oxidative Stability of Liposomes.

Journal of Agricultural and Food Chemistry, 2010, 58, 5679-5684.

-Abstract-

37 - Pianet, I.; Cala, O.; Fabre, S.; Dufourc, E.; Fouquet, E.; Laguerre, M.

Towards a molecular interpretation of astringency. Synthesis, 3D-structure, colloidal state and human saliva protein recognition of procyanidins.

Planta Medica, 2010, 76, 1165-1165.

38 - Roland, T.; Berguiga, L.; Elezgaray, J.; Argoul, F.

Scanning surface plasmon imaging of nanoparticles.

Physical Review B, 2010, 81, .

-Abstract-

39 - Ventimila, N.; Dupont, P. Y.; Laguerre, M.; Dessolin, J.

Description and assessment of a model for GSK-3 beta database virtual screening.

Journal of Enzyme Inhibition and Medicinal Chemistry, 2010, 25, 152-157.

-Abstract-