基于网络药理学与分子对接探究人参治疗肝损伤的作用机制  

Exploring the Mechanism of Panax Ginseng in Treating Liver Injury Based on Network Pharmacology and Molecular Docking

作　　者：梁家俊 刘洪霞 林嘉慧 毛新亮 谢果 刘文利[3] 詹若挺[1] LIANG Jiajun;LIU Hongxia;LIN Jiahui;MAO Xinliang;XIE Guo;LIU Wenli;ZHAN Ruoting(College of Traditional Chinese Medicine,Guangzhou University of Chinese Medicine,Guangzhou 510006,China;Perfect(Guangdong)Commodity Co.,Ltd.,Zhongshan 528400,China;University of Electronic Science and Technology of China,Zhongshan Institute,Zhongshan 528400,China)

机构地区：[1]广州中医药大学中药学院,广东广州510006 [2]完美(广东)日用品有限公司,广东中山528400 [3]电子科技大学中山学院,广东中山528400

出　　处：《特产研究》2025年第1期120-128,142,共10页Special Wild Economic Animal and Plant Research

基　　金：国家自然科学基金项目(32101903)。

摘　　要：运用网络药理学和分子对接技术研究人参治疗肝损伤的作用机制。查阅文献并利用TCMSP、Uniprot和Swiss Target Prediction等数据库得到人参的活性成分及其作用靶点,并结合OMIM、GeneCards、DisGeNET和TTD等数据库获取肝损伤靶点。通过STRING和Cytoscape构建人参治疗肝损伤的成分—靶点网络图和PPI网络图。使用R语言对交集靶点进行GO和KEGG富集分析,并通过Autodock vina进行分子对接验证。结果表明,人参的活性成分25个,潜在作用靶点129个。GO和KEGG分析表明,人参可能通过对脂多糖的反应和激酶活性的正向调节等生物过程起到治疗肝损伤的作用,通过TNF、AGE-RAGE和细胞凋亡等通路起到治疗肝损伤的作用。网络分析与分子对接结果显示,人参治疗肝损伤的核心成分可能是人参皂苷Rk3、人参皂苷Rh1、人参皂苷CK、山柰酚和β-谷甾醇,涉及的核心靶点是AKT1、NFKBIA、CASP3、VEGFA和STAT3,且核心成分与核心靶点间有较强的结合活性。人参可能通过多成分、多靶点和多通路的方式起到治疗肝损伤的作用,为进一步探究人参治疗肝损伤的理论研究提供参考。To study the mechanism of Panax ginseng in treating liver injury using network pharmacology and molecular docking techniques.Active ingredients and targets of P.ginseng ginseng were obtained through literature review and databases such as TCMSP,Uniprot,and Swiss Target Prediction.Liver injury targets were obtained from databases including OMIM,GeneCards,DisGeNET,and TTD.The Panax ginseng component-target network and PPI network for treating liver injury were constructed using STRING and Cytoscape.R language was used to perform GO and KEGG enrichment analysis on the intersection targets,and molecular docking was validated by Autodock vina.The results showed that 25 active ingredients of P.ginseng were identified,with 129 potential target genes.GO and KEGG analyses suggest that P.ginseng may exert its therapeutic effect on liver injury by modulating biological processes such as the response to lipopolysaccharide and positive regulation of kinase activity.It may also play a role in treating liver injury through pathways including TNF,AGE-RAGE,and cell apoptosis.The network analysis and molecular docking results revealed that the core components involved in the treatment of liver injury by P.ginseng may include ginsenoside Rk3,ginsenoside Rh1,ginsenoside CK,kaempferol,andβ-sitosterol.The core target proteins related to these components are AKT1,NFKBIA,CASP3,VEGFA,and STAT3,and there is a strong binding activity between the core components and target proteins.P.ginseng exerts its therapeutic effect on liver injury through multiple ingredients,targets,and pathways,providing a reference for further theoretical research on P.ginseng in the treatment of liver injury.

关 键 词：人参 肝损伤 网络药理学 分子对接 

分 类 号：R285[医药卫生—中药学]