A Molecular Study on Drug Delivery System Based on Carbon Nanotube Compared to Silicon Carbide Nanotube for Encapsulation of Platinum-Based Anticancer Drug

Abstract

Purpose: Drug delivery has a critical role in the treatment of cancer, in particular, carbon nanotubes for their potential use in various biomedical devices and therapies. From many other materials which could be more biocompatible and biodegradable and which could form single-walled nanotubes, silicon carbide was selected. Methods: To compare two drug delivery systems based on single-walled nanotubes, molecular dynamic simulations were applied and encapsulation behavior of the drug carboplatin was investigated inside the silicon carbide nanotube and the carbon nanotube. Results: Localization of the carboplatin inside the nanotubes indicated that the carboplatin moves throughout the tubes and possesses a greater probability of finding the drug molecule along the nanotubes in the first quarter of the tubes. The energy analysis exhibited the lowest free energy of binding belongs to the encapsulation of the drug carboplatin in the silicon carbide nanotube, about -145 Kcal/mol. Conclusion: The results confirmed that the silicon carbide nanotube is a more suitable model than the carbon nanotube for drug delivery system based on nanotubes as a carrier of platinum-based anticancer drugs.

Keywords

• Molecular Dynamic Simulation
• Carbon nanotube
• Silicon Carbide nanotube
• Platinum-based anticancer drug