| 摘要: |
| 目的：基于网络药理学及分子对接技术探讨人参治疗胃癌的作用机制。方法：利用网络公开数据库筛选人参有效成分、分子靶点及胃癌疾病靶点。采用Perl工具获取药物-疾病交集靶点基因，生物信息学方法构建活性成分-疾病靶点网络，筛选核心靶点，并进行生物学功能富集分析。应用AutoDock Vina软件和Pymol对核心成分及蛋白靶点进行分子对接和结合能力预测。结果：获得人参22种有效成分及98个对应靶点，筛选出人参治疗胃癌的核心靶点3个，包括转录因子p65（RELA）、转录因子AP-1（JUN）、丝裂原活化蛋白激酶8（MAPK8）。基因本体（GO）功能和京都基因与基因组百科全书（KEGG）通路富集分析结果显示，人参主要通过参与抗炎、细胞凋亡、免疫调节等生物学过程治疗胃癌。分子对接结果显示，山柰酚与关键靶点JUN、MAPK8有强烈的结合能力。结论：人参通过抗炎、细胞凋亡、免疫调节等过程发挥多组分、多靶点、多通路的协同抗胃癌作用。 |
| 关键词: 胃癌 人参 网络药理学 分子对接 作用机制 |
| DOI： |
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| Mechanism of action of Panax ginseng in treatment of gastric cancer：A study based on network pharmacology and molecular docking |
| TANG Ping,TANG Fangting,WANG Hong |
| (Hunan Provincial Hospital of Traditional Chinese Medicine，Hunan University of Chinese Medicine，Zhuzhou 412000，Hunan，China) |
| Abstract: |
| Objective：To investigate the mechanism of action of Panax ginseng in the treatment of gastric cancer based on network pharmacology and molecular docking.Methods：Online databases were used to obtain the effective constituents of Panax ginseng，molecular targets，and the disease targets of gastric cancer.Perl tool was used to obtain the drug-disease intersecting target genes，the bioinformatics method was used to construct an active component-disease target network and obtain core targets，and the biological functional enrichment analysis was performed.AutoDock Vina software and Pymol were used to perform molecular docking between core components and protein targets and predict binding capacity.Results：The above analyses obtained 22 effective constituents of Panax ginseng and 98 corresponding targets，and 3 core targets were obtained for Panax ginseng in the treatment of gastric cancer，i.e.，transcription factor p65 (RELA)，transcription factor AP-1 (JUN)，and mitogen-activated protein kinase 8 (MAPK8).The gene ontology functional enrichment analysis and the Kyoto Encyclopedia of Genes and Genomes pathway enrichment analysis showed that Panax ginseng exerted a therapeutic effect on gastric cancer mainly through the biological processes such as anti-inflammation，cell apoptosis，and immunoregulation.Molecular docking showed that kaempferol had strong binding capacity to the key targets JUN and MAPK8.Conclusion：Panax ginseng exerts a synergistic effect against gastric cancer via multiple components，targets，and pathways through the processes such as anti-inflammation，cell apoptosis，and immunoregulation. |
| Key words: gastric cancer Panax ginseng network pharmacology molecular docking mechanism of action |
