Research Progress of Near‐Infrared Donor‐Acceptor Molecular Probes in Disease Theranostics

Malignant tumors, pathogenic infections, and other major diseases pose severe threats to human health, making the integrated demand for precise diagnosis and effective treatment increasingly urgent. Near-infrared (NIR) donor-acceptor (D-A) Molecular Probes demonstrate tremendous application potential in disease theranostics due to their unique advantages, such as strong structural designability, excellent biocompatibility, and tunable optical properties. Particularly in the second near-infrared window (NIR-II, 1000-1700 nm), these probes enable deeper tissue penetration, lower background interference, and higher imaging resolution. This review systematically summarizes the molecular design strategies for NIR D-A molecular probes, including D-A structure optimization, conjugated backbone regulation, and construction of activatable response mechanisms. It focuses on the latest research progress in precise diagnosis involving fluorescence imaging and chemiluminescence imaging, as well as effective treatment modalities such as photodynamic therapy (PDT), photothermal therapy (PTT), and synergistic therapies combining these approaches. Furthermore, the present review analyzes the implementation pathways and core advantages of theranostic integration. Current challenges, including improving fluorescence quantum yield and optimizing biosafety, are also summarized, providing a reference for further breakthroughs of NIR organic conjugated probes in the field of precision medicine.