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Life sciences · Journal article
Journal of Medicinal Chemistry · October 12, 2026
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Abstract Triple-negative breast cancer (TNBC) remains challenging due to its aggressiveness and the lack of targeted therapies. In this study, we proposed designing a ferric (Fe) agent based on human serum albumin (HSA) for chemodynamic therapy-driven synergistic therapy. To this end, we not only optimized a series of Fe(III) compounds to obtain Fe4, which has remarkable toxicity against TNBC cells, but we also constructed the HSA-Fe4 NPs delivery system. Structural analysis revealed that Fe4 binds within the IB subdomain of HSA, with His-146 coordinating the iron center. Importantly, Fe4/HSA-Fe4 NPs significantly suppressed the metastasis and growth of TNBC in vivo. Moreover, we elucidated the mechanisms by which Fe4/HSA-Fe4 NPs inhibited the growth and metastasis of TNBC: inducing Fenton reaction-mediated chemodynamic therapy, inducing ferroptosis, and tri-activating the immune response through the activation of the cGAS-STING pathway, the induction of immunogenic cell death, and the repolarization of M2 macrophages.