Related Experiment Video
Updated: Jul 27, 2026
Facile Preparation of Internally Self-assembled Lipid Particles Stabilized by Carbon Nanotubes
Published on: February 19, 2016
Investigation of the Pristine and Functionalized Carbon Nanotubes as a Delivery System for the Anticancer Drug
Halimeh Mirsalari1, Afsaneh Maleki1, Heidar Raissi2
1Department of Chemistry, Omidiyeh Branch, Islamic Azad University, Omidiyeh, Iran.
Abstract:
Carbon Nanotubes (CNTs) have been used as the systems in drug delivery due to their exceptional physical and chemical properties. In this study, the adsorption of an anticancer drug Dacarbazine (DAC) into the inner and outer surface of pristine and Functionalized Carbon Nanotubes (FCNTs) with four carboxylic acid groups was investigated in aqueous solution using the Molecular Dynamics (MD) simulations. Our simulation results showed that in spite of the adsorption of drug molecules on the outer sidewall of pristine and functionalized nanotubes, the spontaneous encapsulation of DAC molecule into the cavity of CNTs and FCNTs is observed. The simulations show that the arrangement of the DAC molecule into the CNTs and FCNTs is controlled by π-π interactions.
