Multifunctional AuI‐based AIEgens: Manipulating Molecular Structures and Boosting Specific Cancer Cell Imaging and Theranostics

Abstract Gold(I) N‐heterocyclic carbene (Au I ‐NHC) complexes have emerged as potential anticancer agents owing to their high cytotoxicity and stability. Integration of their above unique functions with customized aggregation‐induced emission (AIE) luminogens to achieve specific bioimaging and efficient theranostics to cancer is highly desirable but is rarely studied. Now, a series of novel Au I ‐NHC compounds were developed with AIE characteristics. A complex with a PPh 3 ligand was selected out as it could achieve both prominent specific imaging of various cancer cells and efficient inhibition of their growth with negligible toxic effects on normal cells due to the targeting binding and strong inhibition towards thioredoxin reductase. This complex could also act as a powerful radiosensitizer to boost the anticancer efficacy with performance superior to that of popularly used auranofin. It holds great potential as a specific and effective theranostic drug in cancer diagnosis and precise therapy.