Scholarlink

Background <p>The Huangqin decoction (HQD) is widely used in clinical practice and has significant therapeutic effects on inflammatory bowel disease (IBD). However, its active ingredients and mechanisms of action for IBD remain unknown.</p> Objective <p>This study aimed to elucidate the underlying mechanism of HQD through network pharmacology and molecular docking and to verify the effectiveness of the potential active components by preliminary experimental verification.</p> Methods <p>The principal components and related protein targets of HQD were retrieved through TCMSP and Uniprot database. The disease targets were obtained in GeneCards database. The intersection targets of drug and disease were imported into STRING 11.5 database to construct the protein-protein interaction (PPI) network. GO enrichment analysis and KEGG pathway enrichment analysis of intersection targets were performed using Metascape platform. AutoDock1.5.7 software was used to verify the molecular docking between core components and core targets. The DSS-induced zebrafish IBD model was used to approve the effects of selected core targets formononetin.</p> Results <p>A total of 170 active components, 192 related targets and 43 intersection targets of IBD were obtained, including 6 core components and 9 core targets. 1090 results were obtained from GO analysis, including 1001, 31 and 58 results from biological process (BP), cellular component (CC), and molecular function (MF) respectively. Enrichment analysis of the KEGG pathway yielded 139 results. The results of molecular docking confirmed that HQD could exert synergistic effects through multi-components, multi-targets and multi-pathways. Furthermore, formononetin has been demonstrated as a beneficial component through molecule docking screening, which effectively affected dextran sulfate sodium (DSS)-induced zebrafish intestinal increasing neutrophils numbers, changed zebrafish larvae intestine morphology, and provided new ideas and new methods for further research on the mechanism of HQD or corresponding active targets screening in the treatment of IBD.</p> Conclusion <p>This study comprehensively illustrates the bioactive, potential targets, and molecular mechanism of HQD against IBD. It also provided a promising strategy to uncover the scientific basis and therapeutic mechanism of traditional Chinese medicine formulae in treating IBD.</p>

错误：搜索内容不能为空，请输入英文关键词
错误：关键词超出字数限制，请精简
高级检索

Integration of network pharmacology and molecular docking reveals the anti-inflammatory efficacy of formononetin in Huangqin decoction and experiment verification in DSS-induced zebrafish IBD model

  • 期刊论文

  • 出版模式：

    开放获取

  • 发表日期：

    2025年12月30日

查看全文
  • Xinyue Yang,
  • Qingqing Tang,
  • Jiawen Dou,
  • Jie Cheng,
  • Min He,
  • Mengmeng Sun

摘要

Background

The Huangqin decoction (HQD) is widely used in clinical practice and has significant therapeutic effects on inflammatory bowel disease (IBD). However, its active ingredients and mechanisms of action for IBD remain unknown.

Objective

This study aimed to elucidate the underlying mechanism of HQD through network pharmacology and molecular docking and to verify the effectiveness of the potential active components by preliminary experimental verification.

Methods

The principal components and related protein targets of HQD were retrieved through TCMSP and Uniprot database. The disease targets were obtained in GeneCards database. The intersection targets of drug and disease were imported into STRING 11.5 database to construct the protein-protein interaction (PPI) network. GO enrichment analysis and KEGG pathway enrichment analysis of intersection targets were performed using Metascape platform. AutoDock1.5.7 software was used to verify the molecular docking between core components and core targets. The DSS-induced zebrafish IBD model was used to approve the effects of selected core targets formononetin.

Results

A total of 170 active components, 192 related targets and 43 intersection targets of IBD were obtained, including 6 core components and 9 core targets. 1090 results were obtained from GO analysis, including 1001, 31 and 58 results from biological process (BP), cellular component (CC), and molecular function (MF) respectively. Enrichment analysis of the KEGG pathway yielded 139 results. The results of molecular docking confirmed that HQD could exert synergistic effects through multi-components, multi-targets and multi-pathways. Furthermore, formononetin has been demonstrated as a beneficial component through molecule docking screening, which effectively affected dextran sulfate sodium (DSS)-induced zebrafish intestinal increasing neutrophils numbers, changed zebrafish larvae intestine morphology, and provided new ideas and new methods for further research on the mechanism of HQD or corresponding active targets screening in the treatment of IBD.

Conclusion

This study comprehensively illustrates the bioactive, potential targets, and molecular mechanism of HQD against IBD. It also provided a promising strategy to uncover the scientific basis and therapeutic mechanism of traditional Chinese medicine formulae in treating IBD.