经典名方阳和汤指纹图谱及功效关联物质预测分析  

Fingerprints of classical prescription Yanghe Decoction and predictive analysis of its efficacy related substance

作　　者：张泽康 张晴 窦敏航 王昌海 赵玥瑛 席铖 张馨雨 孙萌[1] 董爽 杜守颖[1] 白洁[1] 陆洋[1] ZHANG Ze-kang;ZHANG Qing;DOU Min-hang;WANG Chang-hai;ZHAO Yue-ying;XI Cheng;ZHANG Xin-yu;SUN Meng;DONG Shuang;DU Shou-ying;BAI Jie;LU Yang(School of Chinese Materia Medica,Beijing University of Chinese Medicine,Beijing 102488,China)

机构地区：[1]北京中医药大学中药学院,北京102488

出　　处：《中草药》2023年第4期1106-1119,共14页Chinese Traditional and Herbal Drugs

基　　金：国家自然科学基金项目(82173989)。

摘　　要：目的 基于指纹图谱及网络药理学,建立阳和汤指纹图谱检测方法,并对其功效关联物质进行预测分析,为阳和汤质量控制提供参考依据。方法 采用HPLC建立阳和汤指纹图谱,对共有峰进行归属和指认,并运用网络药理学构建阳和汤“成分-靶点-通路”网络关系图,进一步佐证阳和汤功效成分选择的合理性。结果 阳和汤的HPLC指纹图谱共标定15个共有峰,通过对照品指认出2号峰5-羟甲基糠醛、5号峰芥子碱硫氰酸盐、8号峰甘草苷、9号峰毛蕊花糖苷、11号峰肉桂酸、12号峰桂皮醛、13号峰甘草酸、15号峰盐酸麻黄碱8个共有色谱峰,相似度均>0.83,主要药效物质群可以从药材-饮片-基准样品逐级较为完整的传递,且归属关系清晰明确;采用网络药理学对筛选出的8个活性成分进行“成分-靶点-通路”网络构建与分析,富集的通路中包括癌症信号通路、脂质和动脉粥样硬化信号通路、鞘脂信号通路、甲状腺激素信号通路等。根据成分、靶点以及通路之间的连接度,初步预测甘草酸、甘草苷、桂皮醛、肉桂酸、毛蕊花糖苷、芥子碱硫氰酸盐、盐酸麻黄碱7个活性成分可能通过调节这些信号通路达到温阳补血、散寒通滞的作用。结论 通过HPLC指纹图谱结合网络药理学分析预测阳和汤治疗疾病的潜在功效关联物质,建立的方法操作便捷,稳定性好,可用于阳和汤的质量控制,也为深入研究阳和汤的质量标准和作用机制提供参考。Objective Based on fingerprint and network pharmacology,a fingerprint detection method of Yanghe Decoction(阳和汤)was established,and its efficacy related substances were predicted and analyzed to provide a reference basis for Yanghe Decoction quality control.Methods The Yanghe Decoction fingerprint was established by HPLC,the common peaks were assigned and identified,and the“component-target-pathway”network diagram of Yanghe Decoction was constructed by network pharmacology to further prove the rationality of the selection of functional components of Yanghe Decoction.Results A total of 15 common peaks were calibrated by HPLC fingerprint of Yanghe Decoction.Eight common peaks of 5-hydroxymethylfurfural(peak 2),sinapine thiocyanate(peak 5),glycyrrhizin(peak 8),verbascoside(peak 9),cinnamic acid(peak 11),cinnamaldehyde(peak 12),glycyrrhizic acid(peak 13)and ephedrine hydrochloride(peak 15)were identified by the reference substance,and the similarity was more than 0.83.The main groups of pharmacodynamic substances can be transferred from raw materials,decoction pieces to benchmark samples step by step,with a clear affiliation relationship;The“component-target-pathway”network of eight selected active components was constructed and analyzed by network pharmacology,the enriched pathways included cancer signal pathway,lipid and atherosclerosis signal pathway,sphingolipid signal pathway,thyroid hormone signal pathway and so on.According to the connectivity between compounds,targets and pathways,it was preliminarily predicted that glycyrrhizic acid,glycyrrhizin,cinnamaldehyde,cinnamic acid,verbascoside,sinapine thiocyanate and ephedrine hydrochloride may achieve the effects of warming yang and tonifying blood,dispelling cold and dredging stagnation by regulating these signal pathways.Conclusion HPLC fingerprint combined with network pharmacology analysis is used to predict the potential efficacy related substances of Yanghe Decoction in the treatment of diseases.The established method is convenient and stable,a

关 键 词：经典名方 阳和汤 指纹图谱 网络药理学 功效关联物质 芥子碱硫氰酸盐 5-羟甲基糠醛 甘草苷 毛蕊花糖苷 肉桂酸 桂皮醛 甘草酸 盐酸麻黄碱 

分 类 号：R283.6[医药卫生—中药学]