摘要
目的运用网络药理学和分子对接技术分析羌活胜湿汤治疗颈椎病的作用机制。方法从TCMSP数据库查找羌活胜湿汤的有效活性成分及对应靶点;从Genecards、OMIM、DisGeNET数据库获取颈椎病的相关靶点,利用Cytoscape 3.9.1构建“中药-活性成分-靶点”网络图,通过STRING数据库建立蛋白相互作用关系。通过Metascape数据库对潜在作用靶点进行GO和KEGG富集分析,最后使用AutoDock、PyMOL进行分子对接验证。结果共得到羌活胜湿汤活性成分169个,相关靶点205个;颈椎病靶点680个,潜在作用靶点55个。GO分析得到生物过程1041条,细胞组成37条,分子功能81条,KEGG分析得到信号通路147条。分子对接结果表明,主要活性成分与关键靶点间有较强结合活性。结论羌活胜湿汤通过多成分、多靶点、多通路治疗颈椎病。
Objective To analyze the mechanism of Qianghuo Shengshi decoction in the treatment of cervical spondylosis by network pharmacology and molecular docking technology.Methods The effective active components and corresponding targets of Qianghuo Shengshi decoction were searched from TCMSP database.The related targets of cervical spondylosis were obtained from Genecards,OMIM and DisGeNET databases.Cytoscape 3.9.1 was used to construct the Chinese medicine⁃active ingredient⁃target network diagram,and the protein interaction relationship was established through the STRING database.GO and KEGG enrichment analysis were performed on potential targets through Metascape database.Finally,AutoDock and PyMOL were used for molecular docking verification.Results A total of 169 active components and 205 related targets of Qianghuo Shengshi decoction were obtained.There were 680 targets of cervical spondylosis and 55 potential targets.A total of 1041 biological processes,37 cellular components and 81 molecular functions were obtained by GO analysis,and 147 signal pathways were obtained by KEGG analysis.Molecular docking results showed that there was a strong binding activity between the main active ingredients and the key targets.Conclusion Qianghuo Shengshi decoction treats cervical spondylosis through multi⁃component,multi⁃target and multi⁃channel.
作者
王嘉璐
李熠
王东杰
陈建锋
陈洪波
WANG Jialu;LI Yi;WANG Dongjie;CHEN Jianfeng;CHEN Hongbo(Hubei University of Chinese Medicine,Hubei Province,Wuhan 430061,China;College Acupuncture and Orthopedics,Hubei University of Chinese Medicine,Hubei Province,Wuhan 430061,China;Department of Orthopedics,Hubei Provincial Hospital of Traditional Chinese Medicine,Hubei Province,Wuhan 430061,China)
出处
《光明中医》
2024年第1期67-71,共5页
GUANGMING JOURNAL OF CHINESE MEDICINE
基金
国家中医药管理局全国名老中医药专家熊昌源传承工作室建设项目(No.国中医药人教函【2022】75号)。
关键词
项痹
颈椎病
羌活胜湿汤
网络药理学
分子对接
arthralgia of the neck
cervical spondylosis
Qianghuo Shengshi decoction
network pharmacology
molecular docking
