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It focuses on the roles of such supramolecular complexes in improving drug solubility, stability, tumor targeting, and controlled release performance, as well as their potential to overcome drug resistance and reduce toxicity. Furthermore, the applications of functionalized macrocyclic compounds in intelligent drug delivery and combination therapy are discussed, and future directions, including novel macrocyclic carriers, multifunctional nanoplatforms, and combination with immunotherapy and gene therapy, are prospected. 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