Carbon Nanotubes for Delivery of Quercetin as Anticancer Drug: Theoretical Study

Single walled carbon nanotubes as free-radical scavengers and novel drug carriers are important in the drug delivery systems because of their high selectivity to target for cancer cells. Quercetin, one of Flavonoids derivatives, has effective chemopreventive and anticancer properties. This study was done to investigate the effect of configuration between SWCNT (5,5) and Quercetin at gas phase and polarizable continuum model (PCM). Calculations have been done at the DFT level with using of hybrid density functional (B3LYP) and 6-31G (d,p) basis set. Results showed that the gas phase or PCM had no significant effect on CNT beside Quercetin as drug delivery systems. (C) 2015 Published by Elsevier Ltd.