GUANIDINE DELIVERY BY Si-DOPED C60 AND SWCNT: A DFT APPROACH

Abstract

The interactions between guanidine and silicon decorated fullerene or single walled carbon nanotube were examined for insight into the drug delivery approach. The calculations show that the chemical reactivity and interaction energies are strongly dependent on the interaction site of the guanidine molecule. Depending on the purpose, by determining the interaction sites, it is possible to use Si decorated fullerenes and single walled carbon nanotubes as selective drug delivery vehicles. The results will contribute to further searches on improving drug delivery platforms.