The volumes of the endo-N cages (Table ) are generally smaller compared to their endo-C counterparts (Table ), except the Au 2 L 4 cage. The endo-n Au 2 L 4 cage stands out due to its significantly more extensive volume, increasing from 99.001 to 103.001. Therefore, endo-n Au 2 L 4 cage can be a rare opportunity to encapsulate two cisplatin molecules with the help of extensive volume. As for the other smaller endo-N cages, they may not be promising for the encapsulation of two cisplatin molecules. Also, the lower volume may increase the molecular interaction between the cages and cisplatin, which may be a challenge for cisplatin release from the cages. Therefore, the encapsulation of cages should be investigated before the final conclusion.