Theoretical study on paramagnetic amino carbon nanotube as fluorouracil drug delivery system

Cancer is a big challenge for modern society. The cancer drug fluorouracil is the first-line drug for treating cancer. However, it has many side effects. We have developed a kind of functionalized carbon nanotube (CNT) as a drug delivery system (DDS) to reduce its side effects and increase bioavailability. The properties of the DDS were investigated by using the density functional theory in gas and solvent. The results show that the functionalized CNT can form a stable complex with the 5FU and activate it. The designed functionalized CNT will be hopeful DDS for treating cancers.