Diversity-Oriented Synthesis toward the Discovery of Ferrocenophane-Appended GPX4 Inhibitors as Potent Ferroptosis Inducers with Drug Likeness

Novel drug-like ferroptosis inducers with distinct chemotypes and enhanced potency are needed to overcome cancer therapy resistance. In this study, we reported a new series of ferrocenophane-appended GPX4 inhibitors as highly effective ferroptosis-inducing anticancer agents by leveraging the “one-st...

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Main Author: Jing Wang (6206297) (author)
Other Authors: Zhaohu Deng (21770482) (author), Xiaocun Li (21770485) (author), Xiaomin Zhang (136250) (author), Xuejing Fan (8333463) (author), Yong Wang (12837) (author)
Published: 2025
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Summary:Novel drug-like ferroptosis inducers with distinct chemotypes and enhanced potency are needed to overcome cancer therapy resistance. In this study, we reported a new series of ferrocenophane-appended GPX4 inhibitors as highly effective ferroptosis-inducing anticancer agents by leveraging the “one-stone-kills-two-birds” strategy. Through diversity-oriented synthesis and structure–activity relationship investigations, the [3]-ferrocenophane derivative <b>ML210-</b><i>ansa</i><b>Fc</b> emerged as a standout candidate, demonstrating remarkable cytotoxicity and superior ferroptosis selectivity in cancer cells versus <b>ML210</b>. Mechanistic studies revealed, for the first time, the ROS-generating capability of bridged ferrocenes at the molecular and cellular levels, underscoring the dual functionality of <i>ansa</i>-ferrocenes in driving ferroptosis. <b>ML210-</b><i>ansa</i><b>Fc</b> exhibited robust tumor growth suppression in 3D spheroid models, coupled with favorable drug-like properties, highlighting its potential as a therapeutic agent for intractable cancers. This work could pave the way for the development of metallocene-based chemotypes with diverse spatial configurations for the treatment of multiple diseases.