An increasing number of studies have demonstrated that polyoxometalate (POM)-based materials possess biological applications, which means POM species have potential in medicine. The antibacterial, antiviral, and anticancer properties of POMs make them promising candidates for a new generation of metallodrugs in treating diseases due to their versatile structures, unique physicochemical properties, and easy synthesis processes. Recent studies have focused on the use of these materials as chemotherapeutics and photothermal agents with the capacity to generate reactive oxygen species (ROS) and on the study of their mechanisms. However, due to the high solubility and long-lasting toxicity effects of the pure POMs, the modification with heterometals, organic molecules, and interactions with biomolecules is an efficient strategy for introducing them into biological media and can be considered a key issue of the bioorthogonal chemistry of POMs. Here, we summarize and discuss the current status of biomedical applications of POM-based materials. Furthermore, the prospect of using these materials for therapeutic purposes is anticipated, indicating promising directions for future research and development.

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