The study of Encapsulation of Gemcitabine Anti-Cancer Drug in Armchair(10,10) and Zigzag(18,0) Carbon Nanotubes using Molecular Dynamics Simulation


Prevention, recognize and treatment of cancer is one target and concern in medical science. Novel drug delivery systems have been provided In order to improve the treatment of cancer. In these systems, specified amount of the drug with an appropriate carrier is forwarded inside the cell. Nanotubes can be used as a carrier for drug delivery due to the large empty space inside nanotubes for encapsulation the drug. With regard to the importance of drug delivery in cancer therapy, In this paper two types of Armchair(10 ,10) and Zigzag (18 ,0) single-walled carbon nanotubes and the method of encapsulation the Gemcitabine anti-cancer drug were checked out. The drug is stable energetically in both nanotubes due to the energy absorption of the drug in nanotubes. According to achieved Center of mass (COM) and Root-mean-square displacement (RMSD) diagrams, Zigzag carbon nanotube can be a suitable carrier to encapsulate the Gemcitabine anti-cancer drug.