Unraveling the treatment effects of huanglian jiedu decoction on drug-induced liver injury based on network pharmacology, molecular docking and experimental validation

TL;DR

This study explores how Huanglian Jiedu Decoction protects the liver from drug-induced damage using network pharmacology and molecular docking.

Contribution

The study identifies key genes and active compounds in Huanglian Jiedu Decoction that protect against drug-induced liver injury.

Findings

Huanglian Jiedu Decoction protects against drug-induced liver injury via the Tryptophan metabolism pathway.

Corymbosin and Moslosooflavone are active ingredients that interact with CYP1A1, CYP1A2, and CYP1B1.

Network pharmacology and molecular docking reveal important genes and compounds in the treatment mechanism.

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.

The online version contains supplementary material available at 10.1186/s12906-024-04517-y.

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