
European Journal of Medicinal Chemistry (2021)
Update date:2022-08-04
Topics:
Hu, Lijun
Ren, Qiang
Deng, Liming
Zhou, Zongtao
Cai, Zongyu
Wang, Bin
Li, Zheng
Farnesoid X receptor (FXR), a bile acid-activated nuclear receptor, regulates the metabolism of bile acid and lipids as well as maintains the stability of internal environment. FXR was considered as a therapeutic target of liver disorders, such as drug-induced liver injury, fatty liver and cholestasis. The previous reported FXR partial agonist 6 was a suitable lead compound in terms of its high potent and low molecular size, while the docking study of compound 6 suggested a large unoccupied hydrophobic pocket, which might be provided more possibility of structure-activity relationship (SAR) study. In this study, we have performed comprehensive SAR and molecular modeling studies based on lead compound 6. All of these efforts resulted in the identification of a novel series of FXR partial agonists. In this series, compound 41 revealed the best activity and strong interaction with binding pocket of FXR. Moreover, compound 41 protected mice against acetaminophen-induced hepatotoxicity by the regulation of FXR-related gene expression and improving antioxidant capacity. In summary, these results suggest that compound 41 is a promising FXR partial agonist suitable for further investigation.
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Doi:10.1021/jo00220a017
(1985)Doi:10.1021/tx00046a010
(1995)Doi:10.1080/00397919208021622
(1992)Doi:10.1016/S0040-4039(00)98436-3
(1985)Doi:10.1007/BF00953055
(1985)Doi:10.1002/jlac.198519850615
(1985)