Fig. 1. Upper panel: schematic representation of the highly porous MIL-100(Al) nanoparticles loaded with ATP and then coated with CD-P. Bottom panel: close up of Al trimers coordinated to trimesate ligands (L). Two molecules of bound water can be replaced either by phosphates from the drug or by phosphate grafted on the cyclodextrin molecules. Phosphates bound to CD can only access sites located close to the external MOF surface. CD dimensions: cage 6–6.5 Å, external diameter 15.4 Å, height ∼8 Å. ATP molecule has about 7 Å radius.