Investigation of Interaction Between Graphene and Its Compounds as Carriers on Anti-Cancer Drug of 5-Fluorouracil

Abstract

5-fluorouracil molecule (5-FU) is a fluorinated pyrimidine analogue chemotherapeutic
agent using as solid cancer treatment like esophagus, stomach, intestines, and
carcinoma. The adsorption process as the first factor in drug conductivity systems is
very important, and also in this study, importance of adsorption, for measuring the
efficiency of Graphene as drug carriers was studied. In this study, the electronic and
adsorption properties of the Graphene interacted with 5-fluorouracil molecule (5-FU)
were theoretically investigated in the gas phase using the B3LYP density functional
theory (DFT) calculations and 6-311G* basis set. Graphene due to its unique properties
is very important compound. It was found that the adsorption behavior of 5FU
molecule on the Graphene are electrostatic in nature.