基于特征图谱、化学计量学及活性评价探讨参芪通脉口服液质量标志物  

Quality markers of Shenqi Tongmai oral liquid based on characteristic spectrum,chemometrics and activity evaluation

作　　者：李倩 王莉 裴京楠 李金莎 李秋萍 张洪平 LI Qian;WANG Lil;PEI Jingnan;LI Jinshal;LI Qiuping;ZHANG Hongpingl(Graduate School of Guangxi University of Chinese Medicine,Guangxi Nanning 530200,China;Department of Pharmacy,Liuzhou Traditional Chinese Medicine Hospital(Liuzhou Zhuang Medical Hospital),Guangxi Liuzhou 545001,China)

机构地区：[1]广西中医药大学研究生院,广西南宁530200 [2]柳州市中医医院(柳州市壮医医院)药学部,广西柳州545001

出　　处：《中国医院药学杂志》2025年第6期622-627,649,共7页Chinese Journal of Hospital Pharmacy

基　　金：广西壮族自治区中医药管理局中药壮瑶药医院制剂质量提升项目(编号:GZZJ202026);广西壮族自治区中医药管理局科技项目(编号:GXZYB20240547);广西中医药大学校级科研项目(编号:2020MS056)。

摘　　要：目的:以质量标志物(quality markers,Q-Marker)“五原则”为指导,结合特征图谱、化学计量学、分子对接、活性评价和含量测定等技术,开展参芪通脉口服液(Shenqi Tongmai oral liquid,SQTM)治疗动脉粥样硬化的Q-Marker研究。方法:建立SQTM特征图谱,采用化学模式识别对不同批次SQTM进行分析,开展分子对接遴选潜在Q-Marker,并利用抗氧化活性评价进行初步验证。同时测定SQTM中Q-Marker含量。结果:SQTM特征图谱中指认了9个特征成分。其中刺芒柄花苷、黄芩苷、毛蕊异黄酮葡萄糖苷、木犀草素和迷迭香酸5个差异成分对SQTM质量影响最为显著。5个差异成分和分子对接靠前的2个核心成分抗氧化活性评价中,木犀草素、原儿茶醛、迷迭香酸具有较强的的抗氧化活性,可作为SQTM的Q-Marker。17批样品中原儿茶醛、木犀草素质量浓度分别为11.72~27.13μg·mL^(–1)、9.19~24.80μg·mL^(–1)。结论:依据质量标志物“五原则”,整合SQTM特征图谱、化学计量学、分子对接和活性评价等技术,结合文献分析最终确定Q-Marker为木犀草素、原儿茶醛,并建立了含量测定方法,为SQTM质量控制提供参考。OBJECTIVE To develop quality markers(Q-Markers)for the treatment of atherosclerosis with Shenqi Tongmai oral liquid(SQTM)guided by the“five principles”of Q-Markers and combined with the technologies of characteristic spectrum,chemometrics,molecular docking,activity evaluation and content determination.METHODS The characteristic spectrum of SQTM was established,and chemical pattern recognition was used to analyse different batches of SQTM.The potential QMarkers of SQTM were selected by molecular docking and antioxidant activity evaluation was used for preliminary verification.The contents of Q-Markers in SQTM were determined simultaneously.RESULTS In the SQTM characteristic spectrum,nine characteristic components were identified.Among them,five differential components,namely,ononin,baicalin,calycosin-7-Obeta-D-glucoside,luteolin and rosmarinic acid,had the most significant effects on the quality of SQTM.Among the five different components and the two core components with the highest binding energy,luteolin,protocatechualdehyde and rosmarinic acid had relatively strong antioxidant activity,which could be used as the Q-Markers of SQTM.The concentrations of protocatechualdehyde and luteolin in the 17 batches of samples were 11.72–27.13μg·mL^(–1)and 9.19–24.80μg·mL^(–1),respectively.CONCLUSION Guided by the“five principles”of Q-Markers,with the integration of characteristic spectrum of SQTM,chemometrics,molecular docking and activity evaluation techniques,and combined with literature analysis,luteolin and protocatechualdehyde were finally determined as Q-Markers.The content determination methods of protocatechualdehyde and luteolin were established,providing reference for the quality control of SQTM.

关 键 词：参芪通脉口服液 质量标志物 特征图谱 化学计量学 质量控制 

分 类 号：R285[医药卫生—中药学]