关键词: Drug-induced liver injury Huanglian Jiedu Decoction Molecule docking Network pharmacology Q-TOF Tryptophan metabolism

Mesh : Drugs, Chinese Herbal / pharmacology chemistry Molecular Docking Simulation Chemical and Drug Induced Liver Injury / drug therapy Network Pharmacology Humans Animals Cytochrome P-450 CYP1A2 / metabolism drug effects

来  源:   DOI:10.1186/s12906-024-04517-y   PDF(Pubmed)

Abstract:
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.
摘要:
黄连解毒汤(HJD)是一种著名的中药配方,几千年来一直用于肝脏保护。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相关的基因,这相当于HJD中总共41种潜在的活性化合物。KEGG分析显示色氨酸代谢途径尤为重要。来自KEGG和GO分析的重叠基因表明CYP1A1、CYP1A2和CYP1B1的显著性。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,活性成分Corymbosin,在UPLC-Q-TOF-MS/MS分析中发现莫洛索黄酮具有相对较强的强度,显示通过分子对接与CYP1A1,CYP1A2和CYP1B1的相互作用。这些发现可以为HJD对DILI的治疗效果提供见解。
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