Traditional drugs have the disadvantages of poor permeability and low solubility, which makes the utilization of pesticides lower and brings many side effects. With the continuous development of supramolecular chemistry in recent years, it has also played an irreplaceable role in the field of pharmaceutical science. Supramolecular macrocycles, such as crown ethers, cyclodextrins, calixarenes, pillararenes and cucurbiturils, are potentially good candidates for drug carriers due to their biocompatibility, hydrophobic cavity and ease of derivatization. The encapsulation of drugs based on host−guest interaction has the advantage of being adjustable and reversible as well as improving the low availability of drugs. Here, the recent advances in methods and strategies for drug encapsulation and release based on supramolecular macrocycles with host−guest interactions have been systematically summarized, laying a bright foundation for the development of novel nanopesticide preparations in the future and pointing out future directions of novel biopesticide research.