| 摘要: |
| 目的：运用网络药理学和分子对接技术，探讨当归贝母苦参丸合复元活血汤治疗慢性前列腺炎（CP）的作用机制。方法：借助TCMSP数据库筛选中药复方的活性成分及蛋白，并根据Uniprot数据库确定基因靶点，通过Cytoscape 3.8.1软件构建中药-有效成分-靶点网络图。借助GeneCards和OMIM数据库筛选CP的基因靶点，利用STRING数据库构建中药复方治疗CP的蛋白质-蛋白质相互作用（PPI）网络图并进行拓扑分析，筛选核心中药成分和关键靶点，进行基因本体（GO）功能和京都基因与基因组百科全书（KEGG）通路富集分析，利用AutoDock软件进行分子对接验证。结果：得到中药有效成分171个，对应靶点272个，CP基因靶点1561个，共同靶点167个，GO功能和KEGG通路富集分析表明核心靶点参与细胞代谢、凋亡、疼痛、抗氧化及免疫功能调节等生物过程，主要作用于多种炎症通路。分子对接结果显示核心化合物与靶点具有良好的对接活性。结论：当归贝母苦参丸合复元活血汤通过多靶点、多通路治疗CP，为CP的临床与实验研究提供了参考。 |
| 关键词: 慢性前列腺炎 当归贝母苦参丸 复元活血汤 网络药理学 分子对接 |
| DOI： |
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| Mechanism of action of Danggui Beimu Kushen pills combined with Fuyuan Huoxue decoction in reatment of chronic prostatitis：A study based on network pharmacology and molecular docking |
| CHENG Xi,LI Lingru,LIU Xing |
| (National Institute of TCM Constitution and Preventive Medicine，Beijing University of Chinese Medicine，Beijing 100029，China) |
| Abstract: |
| Objective：To investigate the mechanism of action of Danggui Beimu Kushen pills combined with Fuyuan Huoxue decoction in the treatment of chronic prostatitis (CP) based on network pharmacology and molecular docking.Methods：TCMSP database was used to obtain the active components and proteins of compound traditional Chinese medicine (TCM) prescriptions，and Uniprot database was used to identify gene targets.Cytoscape 3.8.1 was used to construct a TCM-effective constituent-target network.GeneCards and OMIM databases were used to identify the gene targets of CP，and STRING database was used to construct a protein-protein interaction network for the compound TCM prescriptions in the treatment of CP and perform a topology analysis.The core TCM components and the key targets were identified，and the gene ontology (GO) functional enrichment analysis and the Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis were performed.AutoDock software was used for molecular docking validation.Results：The above analyses obtained 171 effective constituents of the TCM drugs and 272 corresponding targets，as well as 1561 gene targets of CP and 167 common targets.The GO functional enrichment analysis and the KEGG pathway enrichment analysis showed that the core targets were involved in the biological processes such as cell metabolism，apoptosis，pain，antioxidation，and immune function regulation，and they mainly acted on various inflammation pathways.Molecular docking showed a good binding activity between the core components and targets.Conclusion：Danggui Beimu Kushen pills combined with Fuyuan Huoxue decoction can exert a therapeutic effect on CP through multiple targets and pathways，which provides a reference for the clinical and experimental research on CP. |
| Key words: chronic prostatitis Danggui Kushen pills Fuyuan Huoxue decoction network pharmacology molecular docking |
