pH-responsive anticancer drug delivery systems: Insights into the enhanced adsorption and release of DOX drugs using graphene oxide as a nanocarrier

pH-responsive anticancer drug delivery systems have garnered significant attention as effective platforms for targeted drug release. Graphene oxide (GO) has emerged as a promising nanocarrier due to its unique properties, including pH responsiveness, large surface area, and tunable surface chemistry. In this study, we explore the adsorption and release behavior of doxorubicin (DOX) drugs in GO nanocarriers compared to pure graphene using molecular dynamics simulations. Our findings reveal that the adsorption and releasing of DOX in GO nanocarriers are superior to pure graphene, demonstrating the advantages of graphene oxidation in drug delivery systems. The presence of oxygenated functional groups on GO enhances drug loading efficiency and stability. The pH-responsive behavior of GO enables controlled drug release, triggered by the acidic environment of tumor tissues. These insights highlight the suitability of GO nanocarriers and their potential for the development of efficient and targeted drug delivery systems. Molecular dynamics simulations provide valuable mechanistic understanding of drug encapsulation and release, contributing to the design and optimization of pH-responsive drug delivery systems.