| 摘要: |
| 目的：基于网络药理学与分子对接法探讨补肾骨蚀方治疗膝骨关节炎（KOA）的作用机制。方法：通过TCMSP数据库筛选补肾骨蚀方的活性成分及相关靶点，通过Genecards、OMIM数据库获取KOA相关基因数据。使用R软件获取补肾骨蚀方与疾病的交集靶点，利用STRING数据库对交集靶点构建蛋白互作网络，利用R软件进行GO与KEGG富集分析，运行Autodock Vina对活性成分及关键蛋白进行对接。结果：补肾骨蚀方有效成分84种，相关靶点240个，KOA相关靶点2270个，交集靶点124个。GO富集显示包括生物过程相关条目2334条，细胞成分相关条目70条，分子功能相关条目169条。KEGG功能富集分析发现前列腺癌、肿瘤坏死因子信号通路、人巨细胞病毒感染、流体切应力和动脉粥样硬化、糖尿病并发症中AGE-RAGE信号通路、卡波济肉瘤相关疱疹病毒感染等132条信号通路。分子对接初步验证了补肾骨蚀方主要活性成分能与关键靶点发生相互作用。结论：补肾骨蚀方可能通过抑制炎症因子表达，调节骨代谢及抗氧化治疗KOA，这对后续方药研究及临床应用具有指导意义。 |
| 关键词: 膝骨关节炎 补肾骨蚀方 作用机制 网络药理学 分子对接 |
| DOI： |
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| Mechanism of action of Bushen Gushi prescription in treatment of knee osteoarthritis based on network pharmacology and molecular docking |
| PAN Haida,ZENG Ping,QIAN Xiaofen |
| (The First Affiliated Hospital of Guangxi University of Chinese Medicine，Nanning 530023，Guangxi，China) |
| Abstract: |
| Objective：To investigate the mechanism of action of Bushen Gushi prescription in the treatment of knee osteoarthritis (KOA) based on network pharmacology and molecular docking.Methods：TCMSP database was used to screen out the active components and related targets of Bushen Gushi prescription，and Genecards and OMIM databases were used to obtain the gene data of KOA.R software was used to obtain the intersecting targets of Bushen Gushi prescription and the disease；STRING database was used to construct a protein-protein interaction network；R software was used to perform gene ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analyses；Autodock Vina was used to perform molecular docking between active components and key proteins.Results：Bushen Gushi prescription had 84 effective constituents and 240 related targets，and KOA had 2270 related targets，resulting in a total of 124 intersecting targets.GO analysis showed 2334 items associated with biological process，70 items associated with cell component，and 169 items associated with molecular function.KEGG functional enrichment analysis showed a total of 132 signaling pathways including prostate cancer，tumor necrosis factor signaling pathway，human cytomegalovirus infection，fluid shear stress and atherosclerosis，AGE-RAGE signaling pathway in diabetic complication，and Kaposi sarcoma-associated herpes virus infection.Molecular docking confirmed that the main active components of Bushen Gushi prescription could interact with key targets.Conclusion：Bushen Gushi prescription exerts a therapeutic effect on KOA possibly by inhibiting the expression of inflammatory factors，regulating bone metabolism，and exerting an antioxidant effect. |
| Key words: knee osteoarthritis Bushen Gushi prescription mechanism of action network pharmacology molecular docking |
