Speaker
Description
X-ray based techniques are considered among the most powerful tools for the structural investigation of matter. Depending on the physical phenomenon on which the technique relies on, X-rays enable probing the matter down to atomic resolution, recovering information on the electronic structure, chemical coordination, and even about size and shape of large particles in solution. The combination of such information allows generating complete structural description for the systems of interest, a very interesting opportunity for several research fields and integrative structural biology, particularly. Here, some examples from our previous research about obtaining multiscale structural information by using such techniques will be shown. Firstly, two structural studies about the interaction between inhibitors and their protein targets (thrombin and acetylcholinesterase)(1) will be shown, as an example of the fine details about ligand-protein interaction, information that is precious for rational drug design, that can be provided by X-ray crystallography. A study about ubiquitin oligomer formation(2) will be reported to show the ability of the same technique in recovering insights about protein-protein interaction. Moreover, the structural investigation of the anti-CD20 protein molecule performed by combining Small Angle X-ray Scattering and molecular modelling techniques(3) will provide an example of investigation of large and flexible biological systems by X-ray based techniques. Finally, a X-ray Absorption Spectroscopy investigation about the interaction between metal ions and very large systems such as bacterial cells will be reported(4). Although they are limited with respect to the opportunities given by X-ray based techniques in the field of structural biology, the examples here shown allow appreciating the ability of such techniques in providing multiscale information, whose integration has become increasingly important for the understanding of biological systems.
1 a) BD Belviso, R Caliandro, M de Candia, G Zaetta, G Lopopolo, F Incampo, M Colucci, CD Altomare. J Med Chem, 2014, 57, 8563; b) M Catto, L Pisani, E de la Mora, BD Belviso, GF Mangiatordi, A Pinto, A Palma, N Denora, R Caliandro, JP Colletier, I Silman, O Nicolotti, CD Altomare. ACS Med Chem Lett, 2020, 11(5), 869
2 F Arnesano, BD Belviso, R Caliandro, G Falini, S Fermani, G Natile, D Siliqi. Chemistry, 2011, 17(5), 1569
3 BD Belviso, GF Mangiatordi, D Alberga, V Mangini, B Carrozzini, R Caliandro. Front Mol Biosci, 2022, 9, 823174
4 BD Belviso, F Italiano, R Caliandro, B Carrozzini, A Costanza, M Trotta. Biometals, 2013, 26(5), 69
