ESTUDIO DE LA SUPERFICIE SIO2(001) HIDRATADA, DEHIDRATADA Y FUNCIONALIZADA CON TRIMETILSILANO PARA LA ADSORCIÓN DE NEDAPLATINO

E. NOSEDA GRAU

Bahía Blanca

Congreso; MECOM 2022; 2022

Nedaplatin was discovered in 1983 to provide a cancer treatment similar in effectiveness to cisplatin. Optimizing nedaplatin administration in silica carriers could potentially minimize adverse effects while maintaining efficacy. In this work, the interaction of the drug nedaplatin with the SiO2(001) surface hydrated, dehydrated and functionalized with trimethylsilane (TMS) is studied, within the framework of the density functional theory. The nedaplatin molecule spontaneously adsorbs on silica surfaces. Silica prevents drug degradation by allowing it to bind to the surface without any impact on the drug structure. The adsorption of nedaplatin is mainly governed by hydrogen bond interactions on the hydrated and functionalized surfaces with trimethylsilane (TMS), while the drug is stabilized by the N-O, O-O interactions formed and the partial desorption of H, in the dehydrated silica. The differences in adsorption force could be used in future studies to control drug release, according to the requirements of the therapy.