A SiO2(111) hydrated carrier for cis-[PtCl2(NH3)2] delivery

ANDRES DIAZ COMPAÑY; S. SIMONETTI

Simposio; 3er Simposio Latinoamericano de Química de Coordinación y Organometálica; 2011

Cisplatin (cis-[PtCl2(NH3)2]) is a coordination compound, used in the treatment of several solid tumors. Cisplatin and its hydrolysis products exhibit a great pharmacological effect; nevertheless, they have significant adverse side effects. The optimization of the dosing and delivery schedule can potentially minimize adverse effects while maintaining efficacy. Studies have shown that silica matrixes could improve delivery systems for implants. The adsorption of cis-[PtCl2(NH3)2]   and its complexes, cis-[PtCl(NH3)2]+ and cis-[Pt(NH3)2]2+, on a SiO2(111) hydrated surface has been studied by the Atom Superposition and Electron Delocalization method. The adiabatic energy curves for the adsorption of the drug and its products on the delivery system were considered. The electronic structure and bonding analysis were also performed. The molecule-surface interactions are formed at expenses of the hydroxyl surface bonds. The more important interactions are the Cl-H bond for cis-[PtCl2(NH3)2] and cis-[PtCl(NH3)2]+ adsorptions on silica, and the Pt-O interaction for cis-[Pt(NH3)2]2+ adsorption. The Cl p orbitals and Pt s, p y d orbitals of the molecule and its complexes; and the s H orbital and, the s and p orbitals of the O atoms of the hydrated surface are the main orbital contributions to the surface-species bondings.