Investigation of possible release mechanisms for flurbiprofen and ifosfamide drugs using multi-silicon decorated fullerene-C60: Computational insights

Invention and production of new nano-based versatile materials make it possible to design new drug carriers and sensors. In the scope of this work, one of the famous members of fullerene family, C60, was taken as a reference structure and its multi-silicon modified form was investigated as possible drug delivery vehicles towards flurbiprofen and ifosfamide drug molecules. The results suggest that by replacing carbon atoms from the surface of fullerene-C60 with silicon dopants, it is possible to increase the numbers of loaded drugs over the surface of C60 with changing structural, electronic and vibrational properties. Calculations of desorption characteristics via the interpretation of recovery times also showed that the release of flurbiprofen tend to occur faster than that of the release of ifosfamide drug molecule making the selective drug delivery applications possible.