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基于网络药理学和分子对接探讨地稔治疗宫颈癌的分子机制 被引量:4

Study on the Molecular Mechanism of Melastoma dodecandrum Lour. in Treating Cervical Cancer Based on Network Pharmacology and Molecular Docking
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摘要 目的运用网络药理学方法探索地稔治疗宫颈癌的潜在作用机制。方法通过检索相关文献得到地稔化学成分并筛选出地稔的活性成分,利用SwissTargetPrediction平台预测活性成分的潜在靶点。利用Genecards数据库检索宫颈癌相关靶点。利用Cytoscape3.7.2软件构建"地稔-活性成分-宫颈癌靶点"网络,并运用String数据库构建蛋白互作网络(protein-protein interaction,PPI)。使用OmicShare Tools数据库进行基因本体(Gene Ontology,GO)分析和京东基因与基因组百科全书(Kyoto Encyclopedia of Genes and Genomes,KEGG)富集分析。结果得到地稔中活性成分25个、活性成分靶点420个、宫颈癌靶点150个,最后获得关键靶点7个,与地稔治疗宫颈癌显著相关的信号通路20条。地稔的主要活性成分为3-甲氧基鞣花酸、柚皮素、芹菜素等。地稔治疗宫颈癌关键靶点为STAT3、PIK3CA、AKT1、ESR1等;关键的生物进程和通路可能包括免疫系统过程、转录调节活性、内分泌与代谢相关信号通路、细胞周期信号转导通路等。另外,3-甲氧基鞣花酸成剂量依赖性地抑制人宫颈癌细胞Hela细胞的增殖。结论本研究通过筛选发现地稔治疗宫颈癌的关键靶点及通路与细胞信号转导、细胞的增殖、分化、凋亡以及免疫调节等过程密切相关。因此,3-甲氧基鞣花酸可能主要通过影响宫颈癌细胞增殖和凋亡,从而达到治疗宫颈癌的目的。 Objective To explore the potential mechanism of Melastoma dodecandrum Lour in treating cervical cancer by using network pharmacology.Methods The chemical constituents of Melastoma dodecandrum Lour were obtained through related literature search and the active ingredients of Melastoma dodecandrum Lour were screened out.The SwissTargetPrediction platform was used to predict the potential targets of the active ingredients.The Genecards database was used to search for cervical cancer-related targets.The Cytoscape 3.7.2 software was used to construct a network of"Melastoma dodecandrum Lour-active ingredients-cervical cancer targets",and the String database was used to construct a protein interaction network.Gene Ontology(GO)analysis and Kyoto Encyclopedia of Genes and Genomes(KEGG)enrichment analysis were performed using the OmicShare Tools database.Results 25 active ingredients in Melastoma dodecandrum Lour,420 active ingredient targets,150 cervical cancer targets,and finally 7 key targets,20 signal pathways significantly were obtained related to Melastoma dodecandrum Lour’s treatment of cervical cancer.The main active ingredients of Melastoma dodecandrum Lour were 3-methoxyellagic acid,naringenin,apigenin and so on.Melastoma dodecandrum Lour’s key targets for the treatment of cervical cancer were STAT3,PIK3 CA,AKT1,ESR1,etc.The key biological processes and pathways may include immune system processes,transcriptional regulatory activity,endocrine and metabolism-related signal pathways,and cell cycle signal transduction pathways.In addition,3-methoxyellagic acid inhibited the proliferation of human cervical cancer Hela cells in a dose-dependent manner.Conclusion 3-Methoxy ellagic acid may mainly affect the proliferation and apoptosis of cervical cancer cells to achieve the purpose of treating cervical cancer.The above conclusion still needs further experiments to verify.
作者 陈钰婷 王俊玲 吴依娜 Chen Yuting;Wang Junling;Wu Yina(School of Chinese Materia Medica,Guangzhou University of Chinese Medicine,Guangzhou 510405,China;The Second Affiliated Hospital of Guangzhou University of Chinese Medicine,Guangzhou 510405,China)
出处 《世界科学技术-中医药现代化》 CSCD 北大核心 2021年第9期3264-3273,共10页 Modernization of Traditional Chinese Medicine and Materia Medica-World Science and Technology
基金 广东省基础与应用基础研究基金委员会区域联合基金-青年基金项目(2019A1515110578):补肾壮骨方调控miR-183/Sirt3/MnSOD轴抗线粒体氧化应激防治绝经后骨质疏松的机制研究,负责人:王俊玲
关键词 地稔 宫颈癌 网络药理学 3-甲氧基鞣花酸 分子对接 增殖影响 Melastoma dodecandrum Lour Cervical cancer Network pharmacology 3-methoxyellagic acid Molecular docking Proliferation effect
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