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Anti-cancer drugs have many limitations including solubility, dosage limitation, targeting issues, and so forth, which results in a low level of efficacy in the treatment of cancer. Nano drug delivery systems have a strong hand in resolving all these limitations. It is known that supramolecular interactions are reversible, so these interactions can be used to make nano-drug delivery systems. Supramolecular hosts such as calixarene, cucurbituril, cyclodextrin, and pillararenes were used to synthesize these systems. Normal cells and tumor cells have different microenvironments, which influence drug binding and release from the host.