Abstarct: Treatment of cancer still remains as main goal and concern in medical science. In this regards, new drug delivery system have been introduced to improve cancer treatment. In these systems, increasing the anticancer drug effect, controlling drug dosage and reducing toxicity are the main considered aspect. baxsed on the previous reports, among the introduced drug delivery systems, nanotubes have shown great potential. Accordingly, silicon carbide as member of nanotube family due to structural stability, high solubility, low toxicity, high capacitance and ability to penetrate into the cell without an external transducer, has attracted a lot of attention. Nevertheless, the potential of silicon carbide as effective drug delivery system is still under debate. Therefore, in the present study using molecular dynamics simulation, the silicon carbide nanotube ability for Temozolomide, Carmostine and Cisplatin encapsulation as anticancer drugs was investigated. To find the optimum diameter, zigzag single-wall nanotubes with three different diameters (18,0), (20,0) and (22,0) were selected. Moreover, the effect functional group such as hydroxyl and carboxyl on the encapsulation process was assessed. Although the results show that silicon carbide nanotubes are not suitable carriers for Cisplatin, the functional groups have a positive effect on the encapsulation process of the other two drugs. In order to accurate interpret, the binding energy, the probability of finding drug along the nanotube length, mean square displacement and diffusivity coefficient after drug encapsulation was studied. Since the encapsulation process was done under ambient temperature, the human body temperature effect on our drug delivery system (i.e. nanotube and drug) was considered. As expected, the body temperature reduces the binding energy between drug and nanotube. Finally, the zeta potential as scientific term for stability of the drug delivery system in the blood was evaluated. The results show that pure (without functional group) nanotubes with the smallest diameter have greater stability and durability in blood flow.