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网络药理学和分子对接联合分析蝉花抗肺癌作用机制

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目的 探讨名贵中药蝉花的抗肺癌作用机制。方法 通过检索TCMSP、Symmap、SwissTargetPrediction、GeneCards、PubChem等数据库,使用Cytoscape 3。7。2、AutoDock、Pymol等软件开展网络药理学和分子对接分析。结果 筛选到 4 个重要成分和 326 个潜在靶点。京都基因与基因组百科全书富集靶点数较高的信号通路包括癌症通路、化学致癌-受体激活、神经活性配体-受体相互作用和炎症介质对瞬时受体电位通道的调节等。分子对接验证了 4 个重要成分和 4 个关键靶点可自发结合。结论 蝉花作用于机体后通过过氧化物酶体增生激活受体、前列腺素内过氧化物合成酶 2、淀粉样前体蛋白和蛋白激酶cAMP激活的催化亚基α等关键靶点对肺癌进行干预。
Combined analysis of network pharmacology and molecular docking on the anti-lung cancer mechanism of Cordyceps cicadae Shing
Objective To explore the anti-lung cancer mechanism of Cordyceps cicadae Shing.Methods By searching databases such as TCMSP,Symmap,SwissTargetPrediction,GeneCards,PubChem,and using software such as Cytoscape 3.7.2,AutoDock and Pymol,network pharmacology analysis and molecular docking analysis were carried out.Results Four important components and 326 potential targets were screened.Signal pathways with higher number of Kyoto encyclopedia of genes and genomes enrichment targets include cancer pathway,chemical carcinogenesis-receptor activation,neuroactive ligand-receptor interaction and inflammatory mediator regulation of transient receptor potential channel.Molecular docking verified that four important components and four key targets could spontaneously bind.Conclusion After the Cordyceps cicadae Shing acts on the body,it intervenes in lung cancer through key targets such as peroxisome proliferative activated receptor,prostaglandin-endoperoxide synthase 2,recombinant amyloid precursor protein and protein kinase cAMP-activated catalytic subunit alpha.

Cordyceps cicadae ShingLung cancerNetwork pharmacologyPotential targetsMolecular docking

陈丽萍、赵杰宏、王娇、白世龙、韩洁

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贵州中医药大学药学院,贵州贵阳 550025

贵州中医药大学科研处,贵州贵阳 550025

贵州中医药大学基础医学院,贵州贵阳 550025

蝉花 肺癌 网络药理学 潜在靶点 分子对接

2024

中国医药科学
海峡两岸医药卫生交流协会 二十一世纪联合创新(北京)医药科学研究院

中国医药科学

影响因子:1.083
ISSN:2095-0616
年,卷(期):2024.14(17)