| 引用本文:赵继荣1，杨涛2，陈祁青1，马同1，赵宁1，薛旭1，郭培尧1，李玮农2，张立存2.基于网络药理学及分子对接探讨杜仲叶防治骨质疏松的作用机制[J].世界中医药,2022,(05):. |
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| 基于网络药理学及分子对接探讨杜仲叶防治骨质疏松的作用机制 |
| Mechanism of Eucommia ulmoides Oliv.Leaves in Preventing and Treating Osteoporosis Based on Network Pharmacology and Molecular Docking |
| 投稿时间：2021-02-24 |
| DOI：10.3969/j.issn.1673-7202.2022.05.012 |
| 中文关键词: 网络药理学 分子对接 杜仲叶 骨质疏松症 分子机制 信号通路 |
| English Keywords:Network pharmacology Molecular docking Eucommia ulmoides leaves Osteoporosis Molecular mechanism Signaling pathway |
| 基金项目:国家自然科学基金项目（81760877）；兰州市创新人才项目（2018-RC-99） |
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| 中文摘要: |
| 目的：采用网络药理学-分子对接预测杜仲叶防治骨质疏松症的作用机制。方法：利用中药系统药理学数据库与分析平台（TCMSP）及SwissTargetPrediction分析平台对杜仲叶活性成分及作用靶点进行筛选，使用GeneCards、在线人类孟德尔遗传（OMIM）数据库、治疗靶点数据库（TTD）对骨质疏松症的对应靶标进行筛选，将中药靶基因与疾病靶基因相交集，将交集靶点导入Cytoscape软件构建成分靶点网络，使用STRING分析平台及Cytoscape软件构建蛋白质-蛋白质相互作用（PPI）网络，筛选核心靶点。对中药-疾病共同靶标进行基因本体（GO）功能富集分析和京都基因和基因组百科全书（KEGG）功能富集分析，得出中药-疾病共同靶标相关的信号通路，最后运用AutoDock与Pymol软件对预测靶标与其对应的成分进行分子对接。结果：筛选后得到杜仲叶治疗防治骨质疏松症的有效成分7个，杜仲叶-骨质疏松症共同靶标231个，并推断其作用机制可能与动脉粥样硬化信号通路的下游核因子κB信号通路，MAPK信号通路、TNF、PI3K-AKT、IL-17及HIF-1信号通路等有关，且MAPK1、STAT3、VEGFA、IL6、TP53、EGF、AKT1、JUN、MAPK8、EGFR、TNF基因可能起着关键的作用。结论：杜仲叶可能通过减轻氧化应激损伤、抑制破骨细胞形成、促进成骨细胞形成等作用发挥抗骨质疏松作用。 |
| English Summary: |
| To explore the mechanism of Eucommia ulmoides Oliv.Leaves in treating osteoporosis based on network pharmacology and molecular docking.Methods:The active components and targets of E.ulmoides leaves were screened by Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP) and SwissTargetPrediction，and the corresponding targets of osteoporosis were searched by GeneCards，Online Mendelian Inheritance in Man(OMIM) and Therapeutic Target Database(TTD).The targets of Chinese herbal medicine and disease were intersected and input into Cytoscape to construct the component-target regulatory network.The protein-protein interaction(PPI) network was constructed by STRING and Cytoscape to screen the core targets.Gene Ontology(GO) and Kyoto Encyclopedia of Genes and Genomes(KEGG) functional enrichment analysis were carried out on the common targets of Chinese herbal medicine and disease，and the signaling pathways related to the common targets were obtained.Finally，AutoDock and Pymol were used for molecular docking between the predicted targets and its corresponding components.Results:After screening，7 active components of E.ulmoides leaves in the treatment of osteoporosis were obtained，and 231 common targets were identified.The mechanism was inferred to be related to NF-κB，MAPK，TNF，PI3K-Akt，IL-17，and HIF-1 signaling pathways，and MAPK1，STAT3，VEGFA，IL6，TP53，EGF，AKT1，JUN，MAPK8，EGFR and TNF genes might play a key role.Conclusion:E.ulmoides leaves may exert the anti-osteoporosis effect by alleviating oxidative stress injury，inhibiting osteoclast formation and promoting osteoblast formation. |
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