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Journal of Medicinal Chemistry

Journal of Medicinal Chemistry

IF: 6.8
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Discovery of a Novel G-Quadruplex and Histone Deacetylase (HDAC) Dual-Targeting Agent for the Treatment of Triple-Negative Breast Cancer

Published:2 September 2022 DOI: 10.1021/acs.jmedchem.2c01058 PMID: 36053318
Xin-Chen Jiang, Fang-Hai Tu, Li-Yuan Wei, Bo-Zheng Wang, Hao Yuan, Jing-Mei Yuan, Yong Rao, Shi-Liang Huang, Qing-Jiang Li, Tian-Miao Ou, Hong-Gen Wang, Jia-Heng Tan, Shuo-Bin Chen* and Zhi-Shu Huang*, 

Abstract

The development of triple-negative breast cancer (TNBC) is highly associated with G-quadruplex (G4); thus, targeting G4 is a potential strategy for TNBC therapy. Because concomitant histone deacetylases (HDAC) inhibition could amplify the impact of G4-targeting compounds, we designed and synthesized two novel series of G4/HDAC dual-targeting compounds by connecting the zinc-binding pharmacophore of HDAC inhibitors to the G4-targeting isaindigotone scaffold (1). Among the new compounds, a6 with the potent HDAC inhibitory and G4 stabilizing activity could induce more DNA G4 formation than SAHA and 1 in TNBC cells. Remarkably, a6 caused more G4-related DNA damage and G4-related differentially expressed genes, consistent with its effect on disrupting the cell cycle, invasion, and glycolysis. Furthermore, a6 significantly suppresses the proliferation of various TNBC cells and the MDA-MB-231 xenograft model without evident toxicity. Our study suggests a novel strategy for TNBC therapeutics through dual-targeting HDAC and G4.

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