Self-assembly of plant-derived bioactive nanostructures in traditional Chinese medicine

Traditional Chinese medicine (TCM) relies on plant-derived compounds to achieve therapeutic effects through multi-component and multi-level regulation. Increasing evidence indicates that many bioactive constituents in TCM can spontaneously self-assemble into nanoscale aggregates under aqueous or physiological conditions. This review summarizes current knowledge on the self-assembly behavior of representative plant-derived small molecules, including terpenoids, polyphenols, and alkaloids, and discusses their structural features, non-covalent interaction mechanisms, and experimental characterization strategies. We highlight how self-assembled nanostructures-such as nanoparticles, micelles, and hydrogels-exhibit improved solubility, stability, bioavailability, and delivery performance compared with free molecules. These assembly behaviors are closely coupled to molecular architecture and environmental responsiveness. By integrating supramolecular chemistry with traditional herbal pharmacology, this work provides a conceptual framework for understanding the material basis of TCM efficacy and supports the rational development of plant-derived nanomedicines with translational potential.