Introducing a New Type of Drug Delivery System Based on the Silicon Carbide Monolayer

Two-dimensional inorganic nanomaterials are commonly used in nanobiotechnology in order to improve horizontal inorganic systems for medicinal purposes. In this research, a silicon carbide (SiC) monolayer with a chlormethine (CM) anticancer drug is investigated by performing density functional theory (DFT) calculations. The interaction between host and guest complexes with different configurations, charge transfer (CT), interaction strength, and structural geometries are also presented. Using the SiC monolayer with CM is found to be more efficient for biofunctionalization with the interaction energy (E-int) of - 29.05 kcal/mol. The charge transfer from the adsorbed CM to SiC was confirmed by the Hirshfeld surface analysis. The results can provide insights into the application of nano-biomaterials in the fields of biology, nanomedicine and drug delivery.