Molecular mechanisms of Huanglian jiedu decoction on ulcerative colitis based on network pharmacology and molecular docking

Huanglian jiedu decoction (HLJDD) is a heat-clearing and detoxifying agent composed of four kinds of Chinese herbal medicine. Previous studies have shown that HLJDD can improve the inflammatory response of ulcerative colitis (UC) and maintain intestinal barrier function. However, its molecular mecha...

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Bibliographic Details
Published in:Scientific reports 2022-04, Vol.12 (1), p.5526-5526, Article 5526
Main Authors: Yang, Jing, Tang, Chaotao, Jin, Ruiri, Liu, Bixia, Wang, Peng, Chen, Youxiang, Zeng, Chunyan
Format: Article
Language:English
Subjects:
631/154
631/80
692/4020
Colitis, Ulcerative - drug therapy
Colitis, Ulcerative - genetics
Drug development
Drugs, Chinese Herbal - chemistry
Herbal medicine
Humanities and Social Sciences
Humans
Inflammatory bowel disease
Inflammatory bowel diseases
Interleukin 17
Molecular Docking Simulation
Molecular modelling
multidisciplinary
Network Pharmacology
Pharmacology
Science
Science (multidisciplinary)
Tumor necrosis factor
Ulcerative colitis
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Summary:Huanglian jiedu decoction (HLJDD) is a heat-clearing and detoxifying agent composed of four kinds of Chinese herbal medicine. Previous studies have shown that HLJDD can improve the inflammatory response of ulcerative colitis (UC) and maintain intestinal barrier function. However, its molecular mechanism is not completely clear. In this study, we verified the bioactive components (BCI) and potential targets of HLJDD in the treatment of UC using network pharmacology and molecular docking, and constructed the pharmacological network and PPI network. Then the core genes were enriched by GO and KEGG. Finally, the bioactive components were docked with the key targets to verify the binding ability between them. A total of 54 active components related to UC were identified. Ten genes are very important to the PPI network. Functional analysis showed that these target genes were mainly involved in the regulation of cell response to different stimuli, IL-17 signal pathway and TNF signal pathway. The results of molecular docking showed that the active components of HLJDD had a good binding ability with the Hub gene. This study systematically elucidates the “multi-component, multi-target, multi-pathway” mechanism of anti-UC with HLJDD for the first time, suggesting that HLJDD or its active components may be candidate drugs for the treatment of ulcerative colitis.
ISSN:2045-2322
2045-2322
DOI:10.1038/s41598-022-09559-1