Physical simulation to evaluate the impact of nano perovskite and 18F-FDG medical dye as intravenous carriers for doxorubicin

The study involved enhancing the targeted delivery of the breast cancer medicament doxorubicin using two new nanosystems: a molecular imaging probe (18F-FDG) and nano perovskite (CaTiO₃)₂. Molecular simulations and density functional theory were employed to investigate the interaction of the medicament with proteins in cancer cells and blood. The results indicated that the medicament, when docked with 18F-FDG, could promote selectivity and stability, decrease structural deformation, and thus improve therapeutic efficacy. Nano perovskite offered high electronic stability but decreased biorelease. Optical spectra further indicated no discernible absorption in the visible region, implying its safety for intravenous delivery. These results indicate that nano perovskite is perhaps a permanent carrier, while 18F-FDG can achieve delivery of medicament accurately if the medicament release rate is manageable.