利用雌二醇支架开发GPBAR1和LIFR双调节剂治疗肝纤维化。

IF 6.8 1区 医学 Q1 CHEMISTRY, MEDICINAL
Rosa De Gregorio,Federica Moraca,Pasquale Rapacciuolo,Bianca Fiorillo,Elva Morretta,Cristina Di Giorgio,Silvia Marchianò,Ginevra Lachi,Carmen Massa,Benedetta Sensini,Michele Biagioli,Lucio Spinelli,Maria Chiara Monti,Bruno Catalanotti,Valentina Sepe,Stefano Fiorucci,Angela Zampella
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引用次数: 0

摘要

纤维化是一种以组织内细胞外基质(ECM)过度沉积为特征的病理过程。涉及肺、肝、肠和肾的慢性纤维化疾病是发病率和死亡率的主要原因,并且仍然是未满足的主要治疗需求。在肝脏中,病理性ECM的发生依赖于关键靶细胞,即肝星状细胞(HSC)的激活。造血干细胞表达促进纤维化的白血病抑制因子受体(LIFR)和减弱造血干细胞活化的胆汁酸激活受体GPBAR1。在此,我们报道了一类新的4,9-雌二醇-3,17-二酮衍生物的设计和合成,作为双重LIFR抑制剂和GPBAR1激动剂。通过对这些双调节剂的计算机模拟和药理学表征,化合物20被鉴定为一种一流的LIFR/GPBAR1调节剂,可在体内和体外逆转肝纤维化。这些发现证明了LIFR/GPBAR1杂交分子在人类纤维化疾病中的治疗潜力。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Harnessing the Estradienone Scaffold to Develop Dual GPBAR1 and LIFR Modulators for Liver Fibrosis.
Fibrosis is a pathological process characterized by excessive deposition of the extracellular matrix (ECM) within tissues. Chronic fibrotic disorders involving the lungs, liver, intestine, and kidneys represent a major cause of morbidity and mortality and remain a major unmet therapeutic need. In the liver, the development of pathological ECM depends on the activation of key cell targets, i.e., the hepatic stellate cells (HSC). HSCs express the leukemia inhibitory factor receptor (LIFR), which promotes fibrosis, and a bile acid-activated receptor, GPBAR1, which attenuates HSC activation. Herein, we report the design and synthesis of a new class of 4,9-estradien-3,17-dione derivatives acting as dual LIFR inhibitors and GPBAR1 agonists. In silico and pharmacological characterization of these dual modulators led to the identification of compound 2o as a first-in-class LIFR/GPBAR1 modulator that reverses liver fibrosis in vitro and in vivo. These findings demonstrate the therapeutic potential of LIFR/GPBAR1 hybrid molecules in human fibrotic disorders.
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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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