基于GEO数据挖掘、网络药理学和分子对接技术的夏瘀血汤抗肝纤维化作用机制探索

Rui-Zhu Jiang, Yu-Hong Ling, Xin-Rui Xian, Xian-Ling Yuan, Yang Zheng, Jia-Hui Wang, Tie-Jian Zhao
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Exploration of the mechanism of action of Xiayuxue Tang against hepatic fibrosis based on GEO data mining, network pharmacology and molecular docking technology
Objective: To study the mechanism of action of Xiayuxue Tang in treating hepatic fibrosis by combining GEO data mining, network pharmacology, and molecular docking technology, and provide new research directions for the treatment of hepatic fibrosis. Method: Utilizing multiple databases, we aim to identify the relevant targets of various components in Xiayuxue Tang and their associations with hepatic fibrosis. After pinpointing the key targets through interaction analysis, we will construct both the compound-target network and the protein interaction network for Xiayuxue Tang. Conclusively, we will conduct GO and KEGG enrichment analyses on these key targets, followed by molecular docking verification. Result: Through mining the GEO database, 171 related targets were identified. When combined with other databases, a total of 2,343 hepatic fibrosis-related targets were obtained. Xiayuxue Tang comprises 82 related components, which include 26 active components from rhubarb, 1 from ground beetle worm, 46 from peach kernels, with a total of 314 predicted targets. The GO enrichment analysis revealed 748 biological processes, 32 cellular components, and 73 molecular functions, while the KEGG enrichment analysis identified 222 pathways. Molecular docking verification confirmed that effective compounds can bind stably to key proteins, exhibiting strong binding activity. This underscores the potential efficacy of Xiayuxue Tang in addressing hepatic fibrosis. Conclusion: Xiayuxue Tang exerts regulatory effects on hepatic fibrosis through different targets and pathways, suggesting that the herbal compound has the characteristics of multiple pathways and targets.
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