摘要
目的:基于网络药理学和指纹图谱方法,预测吴茱萸药材中潜在的质量标志物(Q-Marker)。方法:应用网络药理学构建吴茱萸“成分-靶点-通路”网络,分析吴茱萸药材中的核心成分,运用高效液相色谱法建立18批吴茱萸及石虎药材指纹图谱,进行相似度评价及共有峰确认及指认,并采用多元统计分析,进一步验证吴茱萸药材中潜在的Q-Marker。结果:网络药理学研究结果表明,吴茱萸碱、吴茱萸次碱等在内的吲哚类生物碱成分及槲皮素、异鼠李素等其他有机酸类成分具有高连接度,是吴茱萸的主要活性成分。同时建立了药材指纹图谱,并指认其中7个共有成分,分别为新绿原酸、绿原酸、金丝桃苷、橙皮苷、去氢吴茱萸碱、吴茱萸碱、吴茱萸次碱。结合网络药理学活性和成分可测性以及Q-Marker理念,初步预测吴茱萸碱、吴茱萸次碱可作为吴茱萸药材潜在的Q-Marker,并进一步通过数理统计方法验证了Q-Marker体现药材共性的重要度。结论:结合网络药理学及特征图谱分析预测了吴茱萸的质量标志物,为阐明吴茱萸药效物质基础及作用机制提供了参考依据。
Objective:To forecast the potential quality markers(Q-Markers)in Evodia Fructus based on network pharmacology and fingerprinting methods.Methods:The network pharmacology was used to construct the"component-target-pathway network"of Evodia Fructus,and the network core components were analyzed.High-performance liquid chromatography was used to establish eighteen batches of the Evodia Fructus and Evodia rutaecarpa,which were then subjected to similarity assessments and identification.Multiple statistical analysis was then used to further confirm the existence of a potential Q-Marker in the officinalis species.Results:The results of network pharmacology showed that the Indole alkaloids such as Rutaecarpine,Rutaecarpine and other Organic acids such as Quercetin and Isorhamnetin had high connectivity,is the main active ingredient of Evodia rutaecarpa.At the same time,seven common components including Neochlorogenic acid,Chlorogenic acid,Hyperin,hesperidin,Dehydroevodiamine,Evodiamine and Rutaecarpine were identified.Rutaecarpine and Rutaecarpine were tentatively predicted to be potential Q-Markers in Evodia rutaecarpa when combined with network pharmacological activity,component measurability,and the concept of Q-Marker.Additionally,the significance of Q-Marker to reflect the generality of Chinese medicinal materials was confirmed by mathematical statistics.Conclusion:The quality markers of Evodia rutaecarpa were predicted using network pharmacology and characteristic atlas analysis,which served as a guide for illuminating the pharmacological basis and mechanism of Evodia rutaecarpa.
作者
邢菊玲
罗宇琴
吴文平
杨晓东
刘晓琳
李国卫
邓成程
罗文汇
Xing Juling;Luo Yuqing;Wu Wenping;Yang Xiaodong;Liu Xiaolin;Li Guowei;Deng Chengcheng;Luo Wenhui(Guangdong Yifang Pharmaceutical Co.,Ltd.,Foshan 528244,China;Guangdong Provincial Key Laboratory of Traditional Chinese Medicine Formula,Foshan 528244,China;Hunan Yifang Tianjiang Pharmaceutical Co.,Ltd.,Changde 415000,China)
出处
《亚太传统医药》
2023年第6期147-154,共8页
Asia-Pacific Traditional Medicine
基金
湖南省自然科学基金-科药联合基金(2021JJ80057)。
作者简介
邢菊玲(1996-),女,广东一方制药有限公司/广东省中药配方颗粒企业重点实验室标准研究员,研究方向为中药饮片及中药配方颗粒。E-mail:15562591483@163.com;通讯作者:罗文汇(1980-),男,广东一方制药有限公司/广东省中药配方颗粒企业重点实验室主任中药师,研究方向为中药饮片及中药配方颗粒。E-mail:acid123@126.com。
