| 摘要: |
| 目的：应用网络药理学与分子对接技术探讨青风藤治疗膝骨关节炎（KOA）的作用机制。方法：从TCMSP数据库中提取青风藤的化学成分,获得药物靶点及疾病相关基因,筛选交集靶点,获得青风藤治疗 KOA 的作用靶点。对交集靶点及相关信号通路利用数据库进行基因本体（GO）功能和京都基因与基因组百科全书（KEGG）通路富集分析。通过分子对接平台进行分子对接。结果：获得青风藤化合物主要化学成分6种、疾病基因643个、药物与疾病交集靶点11个。网络分析结果显示,青风藤通过调控肿瘤信号通路、糖尿病并发症中的糖基化终末产及其受体信号通路（AGE-RAGE）、细胞凋亡信号通路、肿瘤抑制蛋白p53 信号通路（p53）、血清素突触信号通路等作用于前列腺素 G/H 合酶 1（PTGS1）、前列腺素-内过氧化物酶合酶 2（PTGS2）、过氧化物酶体增殖物激活受体（PPARG）、B淋巴细胞瘤-2（Bcl-2）、转化生长因子β-1前蛋白（TGFB1）、胱天蛋白酶3（CASP3）等关键靶点,通过干预细胞凋亡、抑制炎症等发挥治疗KOA的作用。分子对接结果显示,青风藤核心成分β-谷甾醇（beta-sitosterol）、青藤碱（Sinomenine）与核心靶点结合高度稳定。结论：青风藤治疗KOA是多通路、多靶点共同作用的结果,其作用机制与细胞凋亡、炎症关系最为密切。 |
| 关键词: 膝骨关节炎 青风藤 网络药理学 作用机制 |
| DOI： |
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| Mechanism of action of Sinomenium acutum in intervention against knee osteoarthritis：A study based on network pharmacology and molecular docking |
| RONG Qijing,YANG Jie,HAN Jingchen |
| (Hunan University of Chinese Medicine,Changsha 410208,Hunan,China;The Affiliated Hospital of Hunan Academy of Chinese Medicine,Changsha 410006,Hunan,China) |
| Abstract: |
| Objective：To investigate the mechanism of action of Sinomenium acutum in the intervention against knee osteoarthritis (KOA) based on network pharmacology and molecular docking.Methods：TCMSP database was used to obtain the chemical components of Sinomenium acutum,and drug targets and disease-related genes were obtained.The intersecting targets were obtained,as well as the action targets of Sinomenium acutum in the treatment of KOA.Related databases were used to perform the gene ontology functional enrichment analysis and the Kyoto Encyclopedia of Genes and Genomes pathway enrichment analysis of the intersecting targets and related signaling pathways,and a molecular docking platform was used for molecular docking.Results：The above analyses obtained 6 main chemical components of Sinomenium acutum,643 disease genes,and 11 intersecting targets of the drug and the disease.The network analysis showed that by regulating the signaling pathways such as the tumor signaling pathway,the AGE-RAGE signaling pathway in diabetic complication,the cell apoptosis signaling pathway,the tumor suppressor protein p53 signaling pathway,and the serotonin-synapse signaling pathway,Sinomenium acutum acted on the key targets including prostaglandin-endoperoxide synthase 1,prostaglandin endoperoxide synthase 2,peroxisome proliferator-activated receptor,B-cell lymphoma-2,transforming growth factor β-1,and CASP3 and exerted a therapeutic effect on KOA by regulating cell apoptosis and inhibiting inflammation.Molecular docking showed a highly stable binding activity between the core components of Sinomenium acutum beta-sitosterol and Sinomenine and the core targets.Conclusion：Sinomenium acutum exerts a therapeutic effect on KOA through multiple pathways and targets,and its mechanism of action is closely associated with cell apoptosis and inflammation. |
| Key words: knee osteoarthritis Sinomenium acutum network pharmacology mechanism of action |
