Mathematical modeling and optimization technique of anticancer antibiotic adsorption onto carbon nanocarriers.

This study employs a combination of mathematical derivation and optimization technique to investigate the adsorption of drug molecules on nanocarriers. Specifically, the chemotherapy drugs, fluorouracil, proflavine, and methylene blue, are non-covalently bonded with either a flat graphene sheet or a spherical fullerene. Mathematical expressions for the interaction energy between an atom and graphene, as well as between an atom and fullerene, are derived.

Stable Configurations of DOXH Interacting with Graphene: Heuristic Algorithm Approach Using NSGA-II and U-NSGA-III.

Nanoparticles in drug delivery have been widely studied and have become a potential technique for cancer treatment. Doxorubicin (DOX) and carbon graphene are candidates as a drug and a nanocarrier, respectively, and they can be modified or decorated by other molecular functions to obtain more controllable and stable systems. A number of researchers focus on investigating the energy, atomic distance, bond length, system formation and their properties using density function theory and molecular dynamic simulation.

Three model shapes of Doxorubicin for liposome encapsulation.

Targeted drug delivery provides a possible method for the transfer of drug molecules into cancer cells. Liposomes together with a drug, such as Doxorubicin (DOX) inside the liposomes, can be formed as a nano-capsule. In this study, we are interested in finding a favorable size of liposome and an appropriate shape of DOX cluster: sphere, cylinder or ellipsoid.