Novel VHL ligand-based PROTACs targeting JNK1: design, synthesis, and biological evaluation with potent anti-EMT activity.

IF 5.1 2区 医学 Q1 BIOCHEMISTRY & MOLECULAR BIOLOGY
Bioorganic Chemistry Pub Date : 2026-10-05 Epub Date: 2026-08-15 DOI:10.1016/j.bioorg.2026.110388
Shuhua Ren, Ye Zhang, Rui Hao, Jiale Yuan, Man Chi, Weiqi Cai, Wenjing Gu, Yi Huang, Yaxia Yuan, Xiabin Chen, Lei Ma
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引用次数: 0

Abstract

Epithelial-mesenchymal transition (EMT) is essential for embryogenesis and tissue regeneration, yet its aberrant activation is closely associated with organ fibrosis and tumor metastasis. c-Jun N-terminal kinase 1 (JNK1) has been identified as a key mediator of transforming growth factor-β (TGF-β)-driven EMT, making it a promising therapeutic target. Herein, we describe the design, synthesis, and biological evaluation of a series of JNK1-targeting PROTACs that recruit either CRBN or VHL E3 ligases. Systematic structure-activity relationship optimization led to the discovery of compound YC2, which incorporates a newly developed VHL ligand modified with a 2,4-dimethyloxazole moiety, as a potent and selective degrader. YC2 induced efficient, concentration- and time-dependent degradation of JNK1 (DC₅₀ of 4.90 nM) via VHL-mediated ubiquitin-proteasome pathway engagement, while displaying strong selectivity over related kinases including JNK2, p38α, and ERK. Moreover, YC2 markedly attenuated TGF-β1-induced EMT, as evidenced by reduced fibronectin levels and restoration of E-cadherin expression, with efficacy comparable to nintedanib. Collectively, YC2 featuring a novel VHL ligand demonstrates excellent degradation potency and selectivity for JNK1, highlighting its potential as a valuable chemical probe for EMT-associated pathologies.

新型靶向JNK1的基于VHL配体的PROTACs:设计、合成和具有强抗emt活性的生物学评价
上皮间充质转化(Epithelial-mesenchymal transition, EMT)是胚胎发生和组织再生所必需的,但其异常激活与器官纤维化和肿瘤转移密切相关。c-Jun n -末端激酶1 (JNK1)已被确定为转化生长因子-β (TGF-β)驱动的EMT的关键介质,使其成为一个有希望的治疗靶点。在此,我们描述了一系列jnk1靶向PROTACs的设计、合成和生物学评价,这些PROTACs募集CRBN或VHL E3连接酶。系统的构效关系优化导致化合物YC2的发现,该化合物包含一个新开发的由2,4-二甲基恶唑修饰的VHL配体,作为一种有效的选择性降解剂。YC2通过vhl介导的泛素-蛋白酶体途径参与诱导JNK1 (DC₅0为4.90 nM)的高效、浓度和时间依赖性降解,同时对包括JNK2、p38α和ERK在内的相关激酶表现出很强的选择性。此外,YC2可显著减弱TGF-β1诱导的EMT,表现为纤维连接蛋白水平降低,E-cadherin表达恢复,其疗效与尼达尼布相当。总之,具有新型VHL配体的YC2对JNK1具有出色的降解能力和选择性,突出了其作为emt相关病理的有价值的化学探针的潜力。
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来源期刊
Bioorganic Chemistry
Bioorganic Chemistry 生物-生化与分子生物学
CiteScore
9.70
自引率
3.90%
发文量
679
审稿时长
31 days
期刊介绍: Bioorganic Chemistry publishes research that addresses biological questions at the molecular level, using organic chemistry and principles of physical organic chemistry. The scope of the journal covers a range of topics at the organic chemistry-biology interface, including: enzyme catalysis, biotransformation and enzyme inhibition; nucleic acids chemistry; medicinal chemistry; natural product chemistry, natural product synthesis and natural product biosynthesis; antimicrobial agents; lipid and peptide chemistry; biophysical chemistry; biological probes; bio-orthogonal chemistry and biomimetic chemistry. For manuscripts dealing with synthetic bioactive compounds, the Journal requires that the molecular target of the compounds described must be known, and must be demonstrated experimentally in the manuscript. For studies involving natural products, if the molecular target is unknown, some data beyond simple cell-based toxicity studies to provide insight into the mechanism of action is required. Studies supported by molecular docking are welcome, but must be supported by experimental data. The Journal does not consider manuscripts that are purely theoretical or computational in nature. The Journal publishes regular articles, short communications and reviews. Reviews are normally invited by Editors or Editorial Board members. Authors of unsolicited reviews should first contact an Editor or Editorial Board member to determine whether the proposed article is within the scope of the Journal.
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