Design of new neuraminidase inhibitors

Surpateanu, G. ; Soulé, J.-F. ; Beau, J.-M. ; Norsikian, S. ; Iorga, B. I., Conformational study of glycal-type neuraminidase inhibitors. J. Carbohydr. Chem. 2012, 31, 114-129 [HTML].

Design of novel inhibitors of anti-apoptotic proteins

Colas, C. ; Roussi, F. ; Iorga, B. I., Focused ligand libraries as tools for in silico design of anti-apoptotic proteins inhibitors. In Chemistry for Life Sciences, Medimond : Bologna, 2011 ; pp 41-46.

Study of the interaction of kinases with flavonic alkaloid inhibitors

Nguyen, T. B. ; Lozach, O. ; Surpateanu, G. ; Wang, Q. ; Retailleau, P. ; Iorga, B. I. ; Meijer, L. ; Guéritte, F., Synthesis, biological evaluation, and molecular modeling of natural and unnatural flavonoidal alkaloids, inhibitors of kinases. J. Med. Chem. 2012, 55, 2811-2819 [HTML].

Study of the interaction of NfrA1 nitroreductase with substrates and inhibitors

Cortial, S. ; Chaignon, P. ; Iorga, B. I. ; Aymerich, S. ; Truan, G. ; Gueguen-Chaignon, V. ; Meyer, P. ; Morera, S. ; Ouazzani, J., NADH oxidase activity of Bacillus subtilis nitroreductase NfrA1 : Insight into its biological role. FEBS Lett. 2010, 584, 3916-3922 [HTML].

Study of the interaction of tubulin with indolobenzazepinone-type inhibitors

Pons, V. ; Beaumont, S. ; Tran Huu Dau, M. E. ; Iorga, B. I. ; Dodd, R. H., Rigid analogues of antimitotic indolobenzazepinones : New insights into tubulin binding via molecular modeling. ACS Med. Chem. Lett. 2011, 2, 565-570 [HTML].

Study of the interaction of acetylcholinesterase with benzofuran and triterpene inhibitors

  • Liu, J. ; Dumontet, V. ; Simonin, A.-L. ; Iorga, B. I. ; Guerineau, V. ; Litaudon, M. ; Nguyen, V. H. ; Guéritte, F., Acetylcholinesterase inhibitors from Styrax agrestis : Identification, structure-activity relationships and molecular modeling studies. J. Nat. Prod. 2011, 74, 2081-2088 [HTML].
  • Rouleau, J. ; Iorga, B. I. ; Guillou, C., New potent human acetylcholinesterase inhibitors in the tetracyclic triterpene series with inhibitory potency on amyloid beta aggregation. Eur. J. Med. Chem. 2011, 46, 2193-2205 [HTML].

Study of the interaction of cyclodextrins with docetaxel

Mazzaferro, S. ; Bouchemal, K. ; Gallard, J.-F. ; Iorga, B. I. ; Cheron, M. ; Gueutin, C. ; Steinmesse, C. ; Ponchel, G., Bivalent sequential binding of docetaxel to methyl-β-cyclodextrin. Int. J. Pharm. 2011, 416, 171-180 [HTML].

Study of the interaction of nicotinic acetylcholine receptors with spiroimine-type toxins

  • Aráoz, R. ; Servent, D. ; Molgó, J. ; Iorga, B. I. ; Fruchart-Gaillard, C. ; Benoit, E. ; Gu, Z. ; Stivala, C. ; Zakarian, A., Total Synthesis of Pinnatoxins A and G and Revision of the Mode of Action of Pinnatoxin A. J. Am. Chem. Soc. 2011, 133, 10499-10511 [HTML].
  • Aráoz, R. ; Chabaud, L. ; Guillou, C. ; Molgó, J. ; Iorga, B. I., Spiroimine toxins in complex with nicotinic acetylcholine receptors : Structure and dynamics. Biophys. J. 2011, 100, 347a [HTML].
  • Aráoz, R. ; Servent, D. ; Molgó, J. ; Iorga, B. I. ; Fruchart-Gaillard, C. ; Benoit, E. ; Gu, Z. ; Stivala, C. ; Zakarian, A., Pinnatoxins : an emergent family of marine phycotoxins targeting nicotinic acetylcholine receptors with high affinity. In Toxins and ion tranfers, French Society of Toxinology : Paris, 2011 ; pp 43-47.
  • Aráoz, R. ; Zakarian, A. ; Molgó, J. ; Iorga, B. I., Insights into the interaction of pinnatoxin A with nicotinic acetylcholine receptors using molecular modeling. In Toxins and ion tranfers, French Society of Toxinology : Paris, 2011 ; pp 49-54.
  • Aráoz, R. ; Chabaud, L. ; Guillou, C. ; Molgó, J. ; Iorga, B. I., Molecular dynamics studies of Acetylcholine Binding Protein with spiroimine toxins. In Advances and New Technologies in Toxinology, French Society of Toxinology : Paris, 2010 ; pp 109-114.