Study on Nanomaterials to Reduce Reactive Oxygen Species for the Treatment of Tumor Cells

This project examines an effective tumor cell therapy using targeted nanoparticles including metalloporphyrin derivatives. Due to limitless combinations of metals and porphyrins, the pharmaceutical properties of the compounds can be tuned for specific applications. Because the molecules exhibit exceptionally high surface areas with large pore sizes, the main application that is used in this project is loading functional groups in nanoparticles of several drug molecules used in reducing the Reactive Oxygen Species in affected cells. In this case, the compounds can be used as drug delivery vehicles as cell-targeting molecules.

In this paper, open-source molecular editing programs with an auto-optimization feature that is able to calculate the theoretical values of a molecule’s physicochemical properties are used to model the compounds. The program enables us to build virtually any biochemical compounds and will find the thermodynamic stability which can be assessed by optimal energy(kJ/mol) and the activity of the compounds is determined by the values of Dipole Moment(DM, Debye) and Electrostatic potential maps(EPMs).