发现具有抗炎和镇痛活性的口服苯喹啉基可溶性环氧化物水解酶抑制剂

IF 6.8 1区 医学 Q1 CHEMISTRY, MEDICINAL
Jing Ding, Min-Zhen Zhu, Si-Meng Liu, Rui-Chen Liu, Shuo Xu, Kiran Shehzadi, Hong-Le Ma, Ming-Jia Yu, Xin-Hong Zhu, Jian-Hua Liang
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引用次数: 0

摘要

目前,还没有治疗急性胰腺炎的特效药物。可溶性环氧化物水解酶(sEH)抑制剂前景看好,但也面临着一些挑战,如药物血药浓度低,对CYP酶和人类醚-a-go-go相关基因(hERG)有潜在的不良影响。在这项研究中,我们采用了一种涉及支架跳跃和结构-活性引导优化的方法来设计一系列基于苯基喹啉的 sEH 抑制剂。在这些化合物中,DJ-53在体外和体内都表现出了有效的镇痛和消炎作用。其体内作用机制包括抑制 sEH 酶的活性,从而提高抗炎性环氧二十碳三烯酸 (EET) 的水平,降低促炎性二羟基二十碳三烯酸 (DHET) 的水平。重要的是,DJ-53显示出优异的口服生物利用度和药代动力学,同时避免了对CYP酶或hERG通道的抑制。这些结果凸显了 DJ-53 作为抗炎和镇痛应用新先导化合物的潜力,并为开发 sEH 抑制剂提供了一个安全有效的支架。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Discovery of Orally Active Phenylquinoline-Based Soluble Epoxide Hydrolase Inhibitors with Anti-Inflammatory and Analgesic Activity.

Discovery of Orally Active Phenylquinoline-Based Soluble Epoxide Hydrolase Inhibitors with Anti-Inflammatory and Analgesic Activity.

Currently, there are no specific drugs for treating acute pancreatitis. Soluble epoxide hydrolase (sEH) inhibitors show promise, but face challenges like low blood drug concentrations and potential adverse effects on CYP enzymes and the human ether-a-go-go-related gene (hERG). In this study, an approach involving scaffold hopping and structure-activity guided optimization was employed to design a series of phenylquinoline-based sEH inhibitors. Among these compounds, DJ-53 exhibited potent in vitro and in vivo effects in alleviating pain and reducing inflammation. The in vivo mechanism of action involved inhibiting sEH enzyme activity, thereby increasing levels of anti-inflammatory epoxyeicosatrienoic acids (EETs) and decreasing levels of proinflammatory dihydroxyeicosatrienoic acids (DHETs). Importantly, DJ-53 showed exceptional oral bioavailability and pharmacokinetics, while avoiding inhibition of CYP enzymes or the hERG channel. These results highlight DJ-53's potential as a new lead compound for anti-inflammatory and analgesic applications and provide a safe and effective scaffold for developing sEH inhibitors.

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来源期刊
Journal of Medicinal Chemistry
Journal of Medicinal Chemistry 医学-医药化学
CiteScore
4.00
自引率
11.00%
发文量
804
审稿时长
1.9 months
期刊介绍: The Journal of Medicinal Chemistry is a prestigious biweekly peer-reviewed publication that focuses on the multifaceted field of medicinal chemistry. Since its inception in 1959 as the Journal of Medicinal and Pharmaceutical Chemistry, it has evolved to become a cornerstone in the dissemination of research findings related to the design, synthesis, and development of therapeutic agents. The Journal of Medicinal Chemistry is recognized for its significant impact in the scientific community, as evidenced by its 2022 impact factor of 7.3. This metric reflects the journal's influence and the importance of its content in shaping the future of drug discovery and development. The journal serves as a vital resource for chemists, pharmacologists, and other researchers interested in the molecular mechanisms of drug action and the optimization of therapeutic compounds.
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