摘要
目的:运用网络药理学和分子对接技术,基于“瘀—毒—虚”探讨三七—白及—紫河车治疗胃癌前病变(PLGC)的多维分子机制。方法:通过TCMSP等数据库和文献确定三七—白及—紫河车活性成分后预测相关靶点,结合GeneCards、OMIM获取PLGC疾病靶点,利用韦恩图筛选药物—疾病交集靶点,构建PPI网络并筛选核心靶点和成分,利用David数据库进行GO和KEGG通路富集分析,并运用AutoDock Vina对关键靶点与活性成分进行分子对接验证。结果:筛选出9个不重复的活性成分和123个PLGC交集靶点。核心成分槲皮素(三七)、2,3,4,7-四甲氧基菲(白及)、雌二醇(紫河车)等通过调控AKT1、CTNNB1、EGFR、TNF、ESR1关键靶点,显著作用于癌症通路、PI3K-Akt信号通路等多种信号通路干预PLGC。分子对接显示,筛选的核心活性成分及靶点蛋白对接的结合能均<-5kJ/mol。结论:三七—白及—紫河车可通过多成分—多靶点—多通路协同调控PLGC,为“化瘀解毒、扶正固本”治法提供科学依据。
Objective:To explore the multi-dimensional molecular mechanism of Panax notoginseng-Bletilla striata-Placenta hominis in the treatment of precancerous lesions of gastric carcinoma(PLGC)using network pharmacology and molecular docking techniques based on“stasis-toxin-deficiency”theory.Methods:Active components of Panax notoginseng-Bletilla striata-Placenta Hominis were identified via the TCMSP database and literature review,followed by target prediction.PLGC-related targets were collected from GeneCards and OMIM.Venn diagrams were used to identify drug-disease intersection targets.A protein-protein interaction network was constructed to screen core targets and components.Gene Ontology and Kyoto Encyclopedia of Genes and Genomes pathway enrichment analyses were performed using the David database.Molecular docking validation between key targets and active components was conducted using AutoDock-Vina.Results:Nine non-repetitive active components and 123 PLGC intersection targets were screened out.The core components quercetin(Panax notoginseng),2,3,4,7-tetramethoxyphenanthrene(Bletilla striata),estradiol(Placenta hominis),etc.significantly intervene in PLGC by regulating key targets of AKT1,CTNNB1,EGFR,TNF,ESR1,and other signaling pathways such as cancer pathway and PI3K Akt signaling pathway.Molecular docking demonstrated binding energies<-5kJ/mol for core components and target proteins.Conclusion:Panax notoginseng-Bletilla striata-Placenta hominis can regulate PLGC through a multi-component,multi-target and multi-pathway mechanism,providing scientific evidence for the traditional Chinese medicine therapeutic principles of“resolving stasis and detoxification,reinforcing healthy qi and consolidating the foundation”.
作者
梁爱玲
杨先环
王平
LIANG Ailing;YANG Xianhuan;WANG Ping(Department of First Clinical College,Hubei University of Chinese Medicine,Wuhan,Hubei 430060;不详)
出处
《医学理论与实践》
2025年第19期3255-3259,共5页
The Journal of Medical Theory and Practice
关键词
胃癌前病变
网络药理学
分子对接
三七—白及—紫河车
Precancerous lesions of gastric carcinoma
Network pharmacology
Molecular docking
Panax notoginseng-Bletilla striata-Placenta hominis
