Gem-dioles de Silicio y Germanio de interés biomédico e industrialcaracterización estructural y modelización teórica de su interacción con cationes metálicos

Abstract

The -Si(OH)_2 functionality have not only industrial interest (gem-silanediol compounds are known intermediates in the so-called sol-gel processes of organosilicon compounds aimed to obtain oxidic materials with tailored properties) but also it have been found to be an interesting alternative in the design of peptidomimetics inhibitors of metallo-proteases. In this work, a thorough structural characterization of silanediols compounds has been done. The interaction mechanisms of this sort of species with biological model systems containing metallic cations and the stability of the complexes formed, has been studied using quantum-chemistry calculations. Further, the functional group 〖-Ge(OH)〗_2 has been proposed as a potential candidate for the development of a new family of peptidomimetics inhibitors. We have based our assumption in the results obtained when calculating the binding ability of the gem-germanediol functionality towards metallic cations, specifically with Zn (II), which was comparable with those obtained for the gem-silanediols.