Examination of Capacities of Si₅₀, C₅₀, B₂₅P₂₅, Fe-Si₅₀, Fe-C₅₀ and Fe-B₂₅P₂₅ Nanocages for Procarbazine Delivery as Anticancer Drug

The abilities of Si₅₀, C₅₀, B₂₅P₂₅, Fe-Si₅₀, Fe-C₅₀, Fe-B₂₅P₂₅ to deliver the Procarbazine are investigated. The thermodynamic parameters of interactions of Procarbazine with Si₅₀, C₅₀, B₂₅P₂₅, Fe-Si₅₀, Fe-C₅₀, Fe-B₂₅P₂₅ nanocages are examined. The ΔG_adsorption of Procarbazine on silicon and carbon nanocages are calculated by computational models to propose the nanocages with high capacity to adsorb the Procarbazine. Results have shown that the Si₅₀, C₅₀, B₂₅P₂₅, Fe-Si₅₀, Fe-C₅₀, Fe-B₂₅P₂₅ nanocages are stable nanostructures from thermodynamic viewpoint. The ΔG_adsorption values of Si₅₀-Procarbazine, C₅₀-Procarbazine, B₂₅P₂₅-Procarbazine, Fe-Si₅₀-Procarbazine, Fe-C₅₀-Procarbazine and Fe-B₂₅P₂₅-Procarbazine are -3.04, -3.15, -3.29, -3.77, -3.90 and -4.00 eV. The Fe-B₂₅P₂₅ has suitable capacity to deliver the Procarbazine. The metals can improve the recovery times of Procarbazine on silicon and carbon nanocages. The ΔG_adsorption value of Fe-B₂₅P₂₅-Procarbazine is higher than Fe-C₅₀ for delivering the Procarbazine. The Fe-B₂₅P₂₅ is suggested as acceptable material to deliver the Procarbazine.