经典名方羌活胜湿汤指纹图谱及药效关联物质预测分析  

Fingerprint of classical prescription Qianghuo Shengshi decoction and predictive analysis of efficacy-related substances

作　　者：乔萍 王佳丽 谢辉[1,2] 池玉梅 杨一帆[1,2] 王洪兰 狄留庆 赵晓莉[1,2] QIAO Ping;WANG Jia-li;XIE Hui;CHI Yu-mei;YANG Yi-fan;WANG Hong-lan;DI Liu-qing;ZHAO Xiao-li(School of Pharmacy,Nanjing University of Chinese Medicine,Nanjing 210023,China;Jiangsu Engineering Research Center for Efficient Delivery System of Traditional Chinese Medicine,Nanjing 210023,China)

机构地区：[1]南京中医药大学药学院,南京210023 [2]江苏省中药高效给药系统工程技术研究中心,南京210023

出　　处：《药物分析杂志》2022年第4期618-629,共12页Chinese Journal of Pharmaceutical Analysis

基　　金：国家自然科学基金项目(82074024,82104688);江苏省自然科学基金项目(BK20190800);江苏省高等学校自然科学研究项目(19KJB360004)。

摘　　要：目的:基于指纹图谱及网络药理学对经典名方羌活胜湿汤(Qianghuo Shengshi Decotation,QSD)进行质量控制及本方治疗风湿痹症功效关联物质预测分析,为其质量控制及临床应用提供依据。方法:采用Waters Xbridge色谱柱(250 mm×4.6 mm,5μm),流动相为乙腈-0.2%甲酸水溶液,梯度洗脱,流速1.0 mL·min^(-1),进样量为20μL,柱温35℃,检测波长254 nm(0~19 min,35~70 min),320 nm(19~35 min,70~80 min),建立指纹图谱并确定共有峰,通过与对照品相对保留时间及紫外光谱的比对进行色谱峰对应化合物的指认,经单煎液及阴性煎液对各共有峰进行归属。通过网络药理学分析,建立“QSD—活性成分—靶点—疾病网络图”,并进行通路预测分析。结果:建立QSD物质基准对应实物的HPLC指纹图谱分析方法,对15批物质基准对应实物进行测定,可标定出16个共有峰,覆盖了全方7味饮片;指认出9个成分,分别是升麻素苷、阿魏酸、甘草苷、5-O-甲基维斯阿米醇苷、甘草酸、羌活醇、藁本内酯、蛇床子素、二氢欧山芹醇当归酸酯;各批次物质基准对应实物相似度均>0.9。通过网络药理学对9个成分与类风湿性关节炎的作用机制进行预测分析,排名较前的成分依次为甘草酸、蛇床子素、二氢欧山芹醇当归酸酯、阿魏酸、藁本内酯;蛋白-蛋白关系互作结果显著富集在信号转导和转录激活因子3、白细胞介素6、肿瘤坏死因子等炎症相关的靶点因子上;富集的通路中类风湿性关节炎排名最高,此外,还富集到了IL-17信号通路、Th17细胞分化等诸多炎症相关的通路。结论:建立的QSD指纹图谱分析方法可行且稳定,色谱峰归属明确,采用网络药理学的手段分析QSD中9个成分与类风湿性关节炎的相关性,为其作为药效关联物质提供支撑。Objective:To carry out the quality control of classical prescription Qianghuo Shengshi decoction(QSD)and predictive analysis of related substances in the treatment of rheumatoid arthritis by this decoction based on fingerprint and network pharmacology research,and to provide a basis for its quality control and clinical application.Methods:Waters Xbridge column(250 mm×4.6 mm,5μm)was adopted,and the mobile phase was acetonitrile-0.2%formic acid aqueous solution with gradient elution.The flow rate was 1.0 mL·min^(-1),the injection volume was 20μL,the column temperature was 35℃and the detection wavelengths were 254 nm(0-19 min,35-70 min)and 320 nm(19-35 min,70-80 min).The fingerprint was established and the common peaks were determined.By comparing with the relative retention time and UV spectra of the reference substances,the corresponding compounds of the chromatographic peak were identified.Then the common peaks were identified by single decoction and negative decoction.Through network pharmacology analysis,the"QSD-Active Ingredients-Target-Disease Network Diagram"was established and pathway prediction and analysis was performed.Results:The HPLC fingerprint analysis method of the QSD substance standard corresponding sample was established,and 16 common peaks could be demarcated by determining corresponding samples in 15 batches of QSD substance standards,including all 7 decoction pieces.Nine ingredients were identified,including prim-O-glucosylcimifugin,ferulic acid,liquiritin,5-O-methylvisammioside,glycyrrhizic acid,notopterol,ligustilide,osthole and columbianadin.The similarity of each batch of substance standard corresponding sample was higher than 0.9.Through network pharmacology,the mechanism between the 9 pharamcodynamic components identified in the fingerprint and rheumatoid arthritis were predicted and analyzed.The top ingredients in order were glycyrrhizic acid,osthole,columbianadin,ferulic acid and ligustilide.Protein-protein interaction was significantly enriched in inflammation related targets su

关 键 词：经典名方 羌活胜湿汤 类风湿性关节炎 网络药理学 质量控制 指纹图谱 药效关联物质 升麻素苷 阿魏酸 甘草苷 5-O-甲基维斯阿米醇苷 甘草酸 羌活醇 藁本内酯 蛇床子素 二氢欧山芹醇当归酸酯 

分 类 号：R917[医药卫生—药物分析学]