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  4. Volume 21, Issue 18
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Volume 21, Issue 18
  • ISSN: 1570-1808
  • E-ISSN: 1875-628X

Abstract

Background

Bunge (SSB), a perennial herb, exhibits notable therapeutic effects on hepatic fibrosis (HF). However, the mechanism of treatment has not been fully determined.

Objective

The objective of this study is to explore the active components in SSB and investigate its molecular mechanism of action in the treatment of HF based on network pharmacology, molecular docking, and molecular dynamics simulation (MD).

Methods

Databases such as TCMSP, Gene Cards, OMIM, and DAVID, as well as Cytoscape, AutoDock Vina, and Gromacs software, were used for analysis.

Results

A total of 5 active components and 86 HF-related targets were screened for SSB, among which the most prominent components are luteolin and quercetin. The key targets for HF are MMP2, MMP3, MMP9, ABCG2, . GO enrichment analysis showed that SSB was closely associated with apoptosis, inflammatory response and cell migration processes. KEGG enrichment analysis showed that the major enrichment pathways for liver fibrosis include EGFR tyrosine kinase inhibitor resistance, PI3K-Akt signaling pathway, and cancer-related pathways. Molecular docking and MD showed that luteolin and quercetin have good affinity and stable binding to MMP2, MMP3, and MMP9.

Conclusion

SSB exerts therapeutic effects on HF through multiple components, targets, and pathways, thereby providing a theoretical foundation for the development of its active compounds and mechanisms of action.

© 2024 Bentham Science Publishers
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2025-06-24

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Exploration of the Potential Mechanism of Sedum sarmentosu Bunge in the Treatment of Hepatic Fibrosis Based on Network Pharmacology, Molecular Docking, and Molecular Dynamics Simulation
Letters in Drug Design & Discovery 21, 4439 (2024); https://doi.org/10.2174/0115701808353253241126102554
/content/journals/lddd/10.2174/0115701808353253241126102554
/content/journals/lddd/10.2174/0115701808353253241126102554
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  • Article Type:     Research Article
Keyword(s): hepatic fibrosis; mechanism; molecular docking; molecular dynamics simulation; network pharmacology; Sedum sarmentosu Bunge

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