Abstract:Molecular recognition events are at the heart of Life processes 1. The understanding of these events is of paramount importance to achieve a better knowledge of the living systems. Therefore, study of the structure and dynamics of biological active small molecules and their interaction with receptors (proteins, nucleic acids, …) is crucial for several aspects of life sciences and vitally needed to develop new bio therapeutics. In this context, NMR has become a major tool to disclose the conformational behaviour and the interaction properties of ligand-receptor interactions2. In this communication, different molecular recognition events studied by NMR spectroscopy and assisted by molecular modelling simulations in distinct biological contexts, will be reported3.
1. Rebek, J. Proc. Natl. Acad. Sci. USA 2009, 106, 10423-10424.
2. Fernández-Alonso, M. C.; Díaz, D.; Berbis, M. A.; Marcelo, F.; Jiménez-Barbero J.; Curr. Protein Pept. Sci. 2012, 13, 816-830.
3. a) Marcelo, F.; Huecas S.; Cañada, F. J.; Ruiz-Avila, L. B.; Perona A.; Poveda A.; Martin-Santamaría, S.; Morreale, A.; Jiménez-Barbero, J.; Andreu, J. M.; J. Am. Chem. Soc. 2013, 135, 16418 – 16428; b) Blázquez-Sánchez M. T., Marcelo F., Fernández-Alonso M. C., Poveda A., Jiménez-Barbero J., Vicent C., Chem. Eur. J. 2014, 20, 17640-17652; c) Marcelo, F.; Garcia-Martin, F.; Matsushita, T.; Sardinha, J.; Coelho, H.; Oude-Vrielink, A.; Koller, C.; André, S.; Cabrita, E. J.; Gabius, H.-J.; Nishimura, S.-I.; Jiménez-Barbero, J.; Cañada, F. J. Chem. Eur. J. 2014, 20, 16147-16155. d) Coelho, H.; Matsushita, T.; Artigas, G.; Hinou, H.; Cañada, F. J.; Lo-Man, R.; Leclerc, C.; Cabrita, E. J.; Jiménez-Barbero, J.; Nishimura, S. I.; Garcia-Martín, F.; Marcelo, F. J. Am. Chem. Soc., 2015, 137, 12438–12441.