基于网络药理学、分子对接和实验验证解析黄连解毒汤治疗药物性肝损伤的作用机制。
Unraveling the treatment effects of huanglian jiedu decoction on drug-induced liver injury based on network pharmacology, molecular docking and experimental validation.
机构信息
Center for Drug Safety Evaluation and Research, Zhejiang Province Key Laboratory of Anti- Cancer Drug Research, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou, 310007, China.
Taizhou Institute of Zhejiang University, Taizhou, 318000, China.
出版信息
BMC Complement Med Ther. 2024 Jun 7;24(1):219. doi: 10.1186/s12906-024-04517-y.
Huanglian Jiedu Decoction (HJD) is a well-known Traditional Chinese Medicine formula that has been used for liver protection in thousands of years. However, the therapeutic effects and mechanisms of HJD in treating drug-induced liver injury (DILI) remain unknown. In this study, a total of 26 genes related to both HJD and DILI were identified, which are corresponding to a total of 41 potential active compounds in HJD. KEGG analysis revealed that Tryptophan metabolism pathway is particularly important. The overlapped genes from KEGG and GO analysis indicated the significance of CYP1A1, CYP1A2, and CYP1B1. Experimental results confirmed that HJD has a protective effect on DILI through Tryptophan metabolism pathway. In addition, the active ingredients Corymbosin, and Moslosooflavone were found to have relative strong intensity in UPLC-Q-TOF-MS/MS analysis, showing interactions with CYP1A1, CYP1A2, and CYP1B1 through molecule docking. These findings could provide insights into the treatment effects of HJD on DILI.
黄连解毒汤（HJD）是一种著名的中药方剂，已有数千年的护肝历史。然而，HJD 治疗药物性肝损伤（DILI）的疗效和机制尚不清楚。在这项研究中，共鉴定出 26 个与 HJD 和 DILI 均相关的基因，这些基因对应于 HJD 中总共 41 种潜在的活性化合物。KEGG 分析表明色氨酸代谢途径尤为重要。KEGG 和 GO 分析的重叠基因表明 CYP1A1、CYP1A2 和 CYP1B1 的重要性。实验结果证实 HJD 通过色氨酸代谢途径对 DILI 具有保护作用。此外，通过 UPLC-Q-TOF-MS/MS 分析发现，科里布素和莫洛索夫黄酮的活性成分相对较强，通过分子对接显示与 CYP1A1、CYP1A2 和 CYP1B1 有相互作用。这些发现为 HJD 治疗 DILI 的疗效提供了新的见解。
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