interaction of tegafur drug with bn, aln, and cn nanotubes as drug delivery systems

In this work, the potential of bn, aln, and cn nanotubes as the drug delivery systems of tegafur (tg) was investigated by the density functional theory (dft). the structural parameters, the interaction energies, and the electronic properties of formed complexes were evaluated. the strength of interactions in complexes was investigated using interaction energies, geometric parameters and topological properties.