基于指纹图谱、网络药理学及含量测定的血必净注射液质量标志物预测分析  

Quality markers prediction of Xuebijing Injection based on fingerprint,network pharmacology and content determination

作　　者：涂杨丽 戴祥洁 肖胜佳 唐祉怡 李勇军[2] 李林珍 TU Yang-li;DAI Xiang-jie;XIAO Sheng-jia;TANG Zhi-yi;LI Yong-jun;LI Lin-zhen(School of Pharmaceutical Sciences,Guizhou Medical University,Guiyang 561113,China;Engineering Research Center for the Development and Application of Ethnic Medicine and TCM(Ministry of Education),Guizhou Medical University,Guiyang 550004,China;State Key Laboratory of Functions and Applications of Medicinal Plants,Guizhou Medical University,Guiyang 550004,China)

机构地区：[1]贵州医科大学药学院,贵州贵阳561113 [2]贵州医科大学民族药中药开发应用教育部研究工程中心,贵州贵阳550004 [3]贵州医科大学省部共建药用植物功效与利用国家重点实验室,贵州贵阳550004

出　　处：《中国中药杂志》2024年第18期4885-4897,共13页China Journal of Chinese Materia Medica

基　　金：国家自然科学基金项目(82260752)。

摘　　要：通过建立25批血必净注射液HPLC指纹图谱及9个主要成分的含量测定方法,并进行网络药理学研究,为预测血必净注射液的质量标志物(Q-marker)提供科学依据。25批血必净注射液样品指纹图谱共标定30个共有峰,并指认出12个色谱峰,相似度在0.970~0.999。主成分分析(principal component analysis,PCA)显示12个主成分的累计方差贡献率为95.83%,正交偏最小二乘法判别分析(orthogonal partial least squares-discriminant analysis,OPLS-DA)显示有10个成分变量重要性投影值(variable importance projection,VIP)大于1。采用网络药理学的方法分析得出色氨酸、洋川芎内酯Ⅰ、羟基红花黄色素A、没食子酸、阿魏酸、原儿茶醛、迷迭香酸、山柰酚-3-O-葡萄糖苷、新绿原酸等成分可能为血必净注射液潜在的质量标志物。利用HPLC测定25批血必净注射液样品中以上9个指标性成分的含量。通过可测性、有效性、配伍、专属性及含量5个方面将羟基红花黄色素A、山柰酚-3-O-葡萄糖苷、洋川芎内酯Ⅰ、阿魏酸、迷迭香酸、原儿茶醛6个化合物作为血必净注射液的质量标志物。This study aimed to provide scientific evidence for predicting quality markers(Q-markers)of Xuebijing Injection by establishing high-performance liquid chromatography(HPLC)fingerprints of 25 batches of Xuebijing Injection and determining the contents of 9 major components,as well as conducting network pharmacology research.Thirty common peaks were identified by fingerprints of 25 batches of Xuebijing Injection samples,and 12 chromatographic peaks were determined,with similarity ranging from 0.970 to 0.999.Principal component analysis(PCA)showed that the cumulative variance contribution rate of the 12 principal components was 95.83%,and orthogonal partial least squares-discriminant analysis(OPLS-DA)revealed that 10 components variable importance projection(VIP)values were greater than 1.Network pharmacology analysis indicated that tryptophan,senkyunolideⅠ,hydroxysafflor yellow A,gallic acid,ferulic acid,protocatechuic aldehyde,rosmarinic acid,kaempferol-3-O-glucoside and neochlorogenic acid may be potential Q-markers of Xuebijing Injection.The contents of the above 9 index components were determined in 25 batches of Xuebijing Injection samples by HPLC.Six compounds including hydroxysafflor yellow A,kaempferol-3-O-glucoside,senkyunolideⅠ,ferulic acid,rosmarinic acid,and protocatechuic aldehyde were used as Q-markers for Xuebijing Injection through five aspects of measurability,effectiveness,compatibility,specificity and content determination.

关 键 词：血必净注射液 指纹图谱 网络药理学 含量测定 质量标志物 

分 类 号：R286.0[医药卫生—中药学]