Simulation of Tetracycline onto Graphene Nano Sheet

Tetracycline (TC) is a broad spectrum of antibiotic which is used to cure infectious and cancer. It can cause harmful side effects due to its high absorption in all organs. On the other hand graphene is appropriate to carry drug and release it into special target, organ or cell. It may decrease the side effects of drug dramatically by using low dosage of medicine. Graphene sheet is able to adsorb molecules of TC via n-n stacking interaction. Base on this mechanism, simulation of TC molecule onto graphenenano sheets was adjusted. Study of force in the z direction illustrated that TC is closed to graphene via carbon (C8) phenolic ring then rotates and it is again closed to graphene sheet from amino group side. This case is adsorption equilibrium and total energy of the system is -6800eV.