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

  1. Rodríguez Ortega, Pilar Gema
Dirigida per:
  1. Manuel Montejo Gámez Director
  2. Juan Jesús López González Director

Universitat de defensa: Universidad de Jaén

Fecha de defensa: 18 de de juliol de 2013

Tribunal:
  1. Juan Carlos Otero Fernández de Molina President/a
  2. Luis Alberto Esteves Batista de Carvalho Vocal
Departament:
  1. QUÍMICA FÍSICA Y ANALÍTICA

Tipus: Tesi

Teseo: 363805 DIALNET lock_openRUJA editor

Resum

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.