Continuum Modelling for Encapsulation of Anticancer Drugs inside Nanotubes

Abstract

Nanotubes, such as those made of carbon, silicon, and boron nitride, have attracted tremendous interest in the research community and represent the starting point for the development of nanotechnology. In the current study, the use of nanotubes as a means of drug delivery and, more specifically, for cancer therapy, is investigated. Using traditional applied mathematical modelling, I derive explicit analytical expressions to understand the encapsulation behaviour of drug molecules into different types of single-walled nanotubes. The interaction energies between three anticancer drugs, namely, cisplatin, carboplatin, and doxorubicin, and the nanotubes are observed by adopting the Lennard–Jones potential function together with the continuum approach. This study is focused on determining a favourable size and an appropriate type of nanotube to encapsulate anticancer drugs. The results indicate that the drug molecules with a large size tend to be located inside a large nanotube and that encapsulation depends on the radius and type of the tube. For the three nanotubes used to encapsulate drugs, the results show that the nanotube radius must be at least 5.493 Å for cisplatin, 6.452 Å for carboplatin, and 10.208 Å for doxorubicin, and the appropriate type to encapsulate drugs is the boron nitride nanotube. There are some advantages to using different types of nanotubes as a means of drug delivery, such as improved chemical stability, reduced synthesis costs, and improved biocompatibility.