查看文章

The development of drug delivery systems minimizing the side effects of conventional chemotherapy is one of the major challenges in the field of biomaterials for cancer treatment. This work reports the formulation and characterization of oil-in-water Pluronic F127 microemulsions to enhance the bioavailability of doxorubicin (DOX). The density functional theory (DFT) calculations at the M06-2X level of theory were done to study the interaction details of DOX with ethyl butyrate, sodium caprylate, and one unit of the polymeric chain of surfactant Pluronic F127 in water solution, which are used in the synthesis process. Specifically, the quantum theory of atoms in molecules (QTAIM) analysis was performed to determine the nature of interactions. The highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) energies were calculated to show the direction of charge transfer within …