Recent advances in metal-organic framework-based nanozymes for cancer theranostics driven by synthetic innovation and machine learning design.

Nanozymes are engineered nanomaterials designed at the atomic scale to fine-tune their structure, composition, and electronic properties, thereby creating active sites that mimic those of natural enzymes. Among these materials, Metal-organic frameworks (MOFs) are notable for their well-defined, porous frameworks, which are created by connecting metal ions or clusters with organic linkers. Their large surface area, adjustable porosity, and superior biocompatibility enable excellent catalytic activity. By containing specific catalytic functionalities, MOF-based nanozymes can mimic peroxidase, oxidase, catalase, and superoxide dismutase activities. These properties make them genuinely promising for biomedical applications, particularly in cancer diagnosis and therapy. Recent progress in synthetic design, post-synthetic modification, and machine learning-assisted optimization has enhanced their structural precision and catalytic efficiency. Furthermore, MOFs serve as multifunctional therapeutic platforms capable of supporting combined treatment strategies and producing synergistic therapeutic effects, thereby establishing their potential as next-generation systems for targeted cancer treatment and diagnostic integration.