Supramolecular Container-Mediated Surface Engineering Approach for Regulating the Biological Targeting Effect of Nanoparticles

Surface chemistry is essential for the biomedical applications of functional nanomaterials. Here, a supramolecular container-based surface engineering approach is designed to impart excellent water dispersibility and precisely control the orientation of surface targeting ligands of the nanoparticles. An acyclic cucurbituril (aCB) molecular container is used as a chemical bridge to incorporate nanoparticles and targeting ligands via a bilateral host-guest complexation, enabling the bioactive moieties of targeting ligands to be fully exposed and faced outward to facilitate biological targeting. The enhanced biological targeting effect as well as targeted imaging performance of aCB-engineered nanoparticles are demonstrated in vitro and in vivo. Molecular dynamic simulations illustrate a tight binding of targeting ligand to the relevant receptor with the assistance of the aCB molecular container for the enhanced targeting efficiency, representing an attractive extension of supramolecular chemistry-based technology for nanoparticle surface engineering and supramolecularly regulated biological targeting.