Drug delivery of Mechlorethamine as anticancer drug by Silicon, Carbon and Aluminum Nitride nanocages

Abstract The adsorption of Mechlorethamine on silicon, carbon and aluminum nitride (Si 76 , C 76 and Al 38 N 38 ) nanocages are investigated. The effects of V adoption on potential of Si 76 , C 76 and Al 38 N 38 nanocages to delivery the Mechlorethamine are investigated. The adsorption energy, Gibbs free energy, recovery time, orbital gap energy, charge transfer of interactions of Si 76 , C 76 , Al 38 N 38 , V-Si 76 , V-C 76 and V-Al 38 N 38 nanocages with Mechlorethamine are calculated. Results shown that the Si 76 and Al 38 N 38 nanocage has higher potential to Mechlorethamine delivery than C 76 nanocage. The V adoption of nanocages can increase the interactions of Si 76 , C 76 and Al 38 N 38 nanocages with Mechlorethamine and their abilities to drug delivery. Finally, results are demonstrated that the V-Si 76 and V-Al 38 N 38 are acceptable nanocages to delivery of Mechlorethamine with high performance.