| 摘要: |
| 目的：基于网络药理学与分子对接技术分析补阳还五汤治疗颈椎病的作用机制。方法：使用TCMSP、化学专业数据库获取补阳还五汤的活性成分，并对潜在靶点进行预测及规范。分别从PharmGKB、DisGeNET、OMIM、GeneCards数据库中得到颈椎病疾病靶点，利用韦恩图获取补阳还五汤与颈椎病的交集靶点。通过CytoScape软件构建中药-活性成分-疾病靶点和蛋白质-蛋白质相互作用（PPI）网络，获得核心有效成分与关键靶点，利用David数据库对潜在靶点进行富集分析。最后运用AutoDock Vina软件对补阳还五汤核心有效成分与关键靶点进行分子对接验证。结果：共获得补阳还五汤治疗颈椎病的有效活性成分97个，包括槲皮素、山柰酚、黄芩素、木犀草素等;交集靶点64个，关键靶点有白细胞介素-6（IL-6）、肿瘤坏死因子（TNF）、丝氨酸/苏氨酸蛋白激酶1（AKT1）、白细胞介素-1B（IL-1B）等;主要涉及肿瘤坏死因子（TNF）、白细胞介素-17（IL-17）、磷脂酰肌醇3-激酶（PI3K）/蛋白激酶B（Akt）等信号通路，分子对接结果显示核心有效成分与关键靶点之间结合紧密，为补阳还五汤治疗颈椎病提供相应条件。结论：该研究在总体上预测了补阳还五汤治疗颈椎病的活性成分、靶点和信号通路，作用途径广泛，为下一步的临床应用提供参考及思路。 |
| 关键词: 颈椎病 补阳还五汤 作用机制 网络药理学 分子对接 |
| DOI： |
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| Mechanism of action of Buyang Huanwu decoction in treatment of cervical spondylosis: A study based on network pharmacology |
| WANG Shujiang,YE Hao,LONG Shengli |
| (Guizhou University of Traditional Chinese Medicine，Guiyang 550002，Guizhou，China;Guiyang Fourth People’s Hospital，Guiyang 550007，Guizhou，China) |
| Abstract: |
| Objective: To investigate the mechanism of action of Buyang Huanwu decoction in the treatment of cervical spondylosis based on network pharmacology and molecular docking.Methods: TCMSP and professional chemical databases were used to obtain the active components of Buyang Huanwu decoction，and potential targets were predicted and standardized.PharmGKB，DisGeNET，OMIM，and GeneCards databases were used to obtain the disease targets of cervical spondylosis，and Venn diagram was used to obtain the intersecting targets of Buyang Huanwu decoction and cervical spondylosis.CytoScape software was used to construct a traditional Chinese medicine-active components-disease target network and a protein-protein interaction network to obtain the core effective constituents and the key targets，and David database was used to perform enrichment analysis of potential targets.AutoDock Vina software was used to perform molecular docking of the effective constituents of Buyang Huanwu decoction and the key targets.Results: A total of 97 active components were obtained for Buyang Huanwu decoction in the treatment of cervical spondylosis，including quercetin，kaempferol，baicalein，and luteolin; 64 intersecting targets were obtained，and the key targets included IL-6，TNF，AKT1，and IL-1B.The main pathways included TNF，IL-17，and PI3K/Akt signaling pathways.Molecular docking showed close binding activity between the core effective constituents and the key targets，which provided corresponding conditions for Buyang Huanwu decoction in the treatment of cervical spondylosis.Conclusion: This study predicts the active components，targets，and signaling pathways of Buyang Huanwu decoction in the treatment of cervical spondylosis and shows wide action pathways，which provides a reference and ideas for clinical application in the future. |
| Key words: cervical spondylosis Buyang Huanwu decoction mechanism of action network pharmacology molecular docking |
