The investigation of two-dimensional nanosheet (C C, BC3, NC3) as a potential drug delivery platform for isoniazid drug

Investigators in drug delivery applications have recently become very interested in two-dimensional nanostructures. Flake layers of NC3 and BC3 in two dimensions were developed by the investigators. The current study uses density functional theory (DFT) to assess the pristine graphene and these two flakes’ drug delivery potentials, primarily to assess their interactions with the isoniazid medicine. The findings showed that the values of the negative adsorption energy were higher in the aqueous phase. This suggested that the solubility of these two flakes might increase, and their drug interactions might change in the solvent phase. The complexes' electronic absorption spectrum was also observed to have shifted blue toward shorter wavelengths, as shown by the UV–Vis spectra findings. In the current investigation, atoms-in-molecules (AIM) analysis was employed in order to better understand the binding properties of these systems to isoniazid (Iso). The BC3 flake and Iso bond's electrostatic characteristics were identified. BC3 flake, which has properties similar to graphene, was discovered to be an effective carrier for transporting the Iso drug.