This paper is a summary of research that looks at the potential of fullerene-like (MO) 12 nanoclusters (NCs) in drug-carrying systems using density functional theory. Favipiravir/Zn 12 O 12 (− 34.80 kcal/mol), Favipiravir/Mg 12 O 12 (− 34.98 kcal/mol), and Favipiravir/Be 12 O 12 (− 30.22 kcal/mol) were rated in order of drug adsorption degrees. As a result, Favipiravir attachment to (MgO) 12 and (ZnO) 12 might be simple, increasing Favipiravir loading efficiency. In addition, the quantum theory of atoms in molecules (QTAIM) assessment was utilized to look at the interactions between molecules. The FMO, ESP, NBO, and E ads reactivity patterns were shown to be in excellent agreement with the QTAIM data. The electrostatic properties of the system with the biggest positive charge on the M atom and the largest E ads were shown to be the best. This system was shown to be the best attraction site for nucleophilic agents. The findings show that (MgO) 12 and (ZnO) 12 have great carrier potential and may be used in medication delivery.

In order to solve the great difficulties in cancer prevention, diagnosis, and treatment, a preparation method of iridium oxide nanocomposites under the microscope was proposed in this paper. Through a retrospective analysis of an experiment, IrOx nanoparticles were prepared by direct hydrothermal hydrolysis and loaded with chemotherapy drug adriamycin to construct nanodrug-loaded complex IrOx@DOX. At the same time, IrOx, as a sound-sensitive agent, can produce ROS under US irradiation, amplify intracellular oxidative stress, accelerate tumor cell death, and finally achieve the effect of SDT chemotherapy synergistic therapy. The experimental results show that IrOx@DOX has the dual response of pH and US, and the inhibition rates are 27%, 57%, and 76%, respectively. At the same time, ultrasound not only can enhance the uptake of nanoparticles by cells but also can promote the release of DOX in cells, which provides a basis for subsequent SDT chemotherapy synergistic therapy. Conclusion. Iridium oxide nanocomposite DOX combined with SDT can obtain a good therapeutic effect, which has positive feedback on the efficacy of chemotherapy and the therapeutic effect of cancer surgery.