摘要
目的运用网络药理学和分子对接探究丹葛舒颈方治疗颈椎病的作用机制。方法利用中药系统药理数据库和分析平台(TCMSP)筛选丹葛舒颈方治疗颈椎病的有效成分及其对应靶点,并采用文献法进行补充。以“Cervical Spondylotic”为关键词,在GeneCards、DrugBank、人类孟德尔遗传数据库(OMIM)等数据库中搜索颈椎病潜在靶点。将2类靶点进行Veen分析,得到丹葛舒颈方治疗颈椎病作用靶点。String数据库用于蛋白相互作用分析,基因本体论(GO)、京都基因与基因组百科全书(KEGG)用于富集分析,分子对接用于验证。结果通过文献筛选获得215个活性成分,包括槲皮素、谷甾醇、β-谷甾醇、山柰酚、芍药苷、豆甾醇、甘草苷等;丹葛舒颈方治疗颈椎病涉及42个靶点,包括蛋白激酶B抗体(AKT1)、白细胞介素(IL)6、IL-1β等关键靶点;主要涉及血脂与动脉粥样硬化通路、IL-17信号通路、肿瘤坏死因子(TNF)信号通路等。另外,槲皮素、木犀草素、β-谷甾醇等10个关键成分与趋化因子配体2(CCL2)、AKT1、雌激素受体(ESR)1等10个关键靶点结合能力强。结论网络药理学预测结果提示丹葛舒颈方治疗颈椎病可能是基于TNF信号通路,通过多靶点调节发挥治疗颈椎病的作用。
Objective Exploring the mechanism of Dan Ge Shu Jing Formula(DGSJF)in the treatment of cervical spondylosis(CS)using network pharmacology and molecular docking.Methods Using the TCMSP database,we screened the active ingredients of DGSJF for treating CS and their corresponding targets,which were further complemented by the literature method.With"Cervical Spondylotic"as the keyword,potential targets for CS were searched in databases such as GeneCards,DrugBank,and OMIM.A Venn analysis was conducted on the two types of targets to obtain the therapeutic targets of DGSJF for CS.The String database was used for protein-protein interaction analysis,while Gene Ontology(GO)and Kyoto Encyclopedia of Genes and Genomes(KEGG)were utilized for enrichment analysis.Molecular docking was employed for verification.Results A total of 215 active ingredients were obtained through literature screening,including quercetin,sitosterolβ-Sitosterol,kaempferol,paeoniflorin,stigmasterol,glycyrrhizic acid and others.The treatment of CS with DGSJF involved 42 targets,including key targets such as AKT1,IL-6,and IL-1β.It mainly involves lipid and atherosclerosis path-ways,IL-17 signaling pathway,TNF signaling pathway,and so on.Additionally,10 key ingredients such as quercetin,luteolin andβ-stigmasterol showed strong binding abilities with 10 key targets such as CCL2,AKT1,and ESR1.Conclusion The prediction results of network pharmacology suggest that DGSJF may treat CS based on the TNF signaling pathway,exerting its therapeutic effect through multi-target regulation.
作者
张海
徐群英
胡巧爱
Zhang Hai;Xu Qunying;Hu Qiaoai(Department of Pain Rehabilitation,Yongkang Orthopedic Hospital,Yongkan,Zhejiang 321300,China;Chinese Medicine Room,Yongkang Orthopedic Hospital,Yongkang,Zhejiang 321300,China;Yongkang Food and Drug Inspection and Testing Center,Yongkang Market Supervision Administration,Yongkang,Zhejiang 321300,China)
出处
《中国药物与临床》
CAS
2024年第10期613-619,I0001,I0002,F0003,共10页
Chinese Remedies & Clinics
关键词
网络药理学
分子对接模拟
颈椎病
丹葛舒颈方
Network pharmacology
Molecular docking simulation
Cervical spondylosis
Dan Ge Shu Jing Formula
