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基于多成分定量的清热消癥方质量评价及标志性成分筛选
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          陈佳惠 ,罗 琼 ,蔚丽君 ,王跃武 ,李 君 ,刘成东 ,郝佳佳 ,牛利文 (1.包头市第三医院药剂科,内蒙古
                 1*
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          包头 014040;2.内蒙古医科大学药学院,呼和浩特 010110;3.呼和浩特市中医蒙医医院中医肾病科,呼和浩特
          010110)
          中图分类号  R917      文献标志码  A      文章编号  1001-0408(2026)06-0740-06
          DOI  10.6039/j.issn.1001-0408.2026.06.08
          摘   要  目的  综合评价清热消癥方的质量,并筛选影响该方质量的潜在标志性成分。方法  采用高效液相色谱-串联质谱
         (HPLC-MS/MS)技术测定清热消癥方中毛蕊异黄酮葡萄糖苷、刺芒柄花苷、金丝桃苷、异槲皮苷、黄芩苷、黄芩素、隐丹参酮、丹参
          酮ⅡA、丹参酮Ⅰ、洋川芎内酯 A、阿魏酸的含量;以上述成分含量为变量,采用 OriginPro 2024 及 SIMCA 14.1 软件进行聚类分析
         (CA)、主成分分析(PCA)和正交偏最小二乘-判别分析(OPLS-DA),并以变量重要性投影(VIP)值>1且P<0.05为标准筛选影响
          清热消癥方质量的标志性成分;运用熵权-逼近理想解排序(TOPSIS)法和灰色关联分析(GCA)法对20批样品的质量进行综合评
          价。结果  上述 11 种成分的含量分别为 7.993~72.866、4.542~31.228、727.666~1 901.884、496.846~1 293.279、1 995.501~
          6 779.150、54.500~241.280、150.302~304.339、79.698~189.206、257.118~682.418、5.498~21.687、7.524~26.935 μg/g。CA、PCA、
          OPLS-DA结果显示,20批样品聚为两类,Q1、Q3、Q4、Q7~Q9、Q12、Q15、Q16聚为一类,其余聚为一类;阿魏酸、丹参酮ⅡA、黄芩
          苷、隐丹参酮、毛蕊异黄酮葡萄糖苷、刺芒柄花苷的VIP值>1且P<0.05。熵权-TOPSIS法和GCA法结果显示,欧氏贴进度最优解
          和相对关联度排前 11 位的样品包括 Q2、Q5、Q6、Q10、Q11、Q13、Q14、Q17~Q20。结论  所建 HPLC-MS/MS 法快速准确、灵敏度
          高,结合化学模式识别分析及熵权-TOPSIS 法、GCA 法可用于综合评价清热消癥方的质量。阿魏酸、丹参酮ⅡA、黄芩苷、隐丹参
          酮、毛蕊异黄酮葡萄糖苷、刺芒柄花苷可能为影响该方质量的标志性成分;Q17等11批样品的整体质量较优。
          关键词  清热消癥方;化学模式识别分析;熵权-逼近理想解排序法;灰色关联分析法;标志性成分


          Quality  evaluation  of  Heat-clearing  and  symptom-relieving  formula  based  on  multi-component
          quantification and screening of marker components
          CHEN Jiahui ,LUO Qiong ,WEI Lijun ,WANG Yuewu ,LI Jun ,LIU Chengdong ,HAO Jiajia ,NIU Liwen        3
                                  1
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         (1. Dept. of Pharmacy, Baotou Third Hospital, Inner Mongolia Baotou 014040, China;2. School of Pharmacy,
          Inner  Mongolia  Medical  University,  Hohhot  010110,  China;3.  Dept.  of  Traditional  Chinese  Medicine
          Nephrology, Hohhot Traditional Chinese and Mongolian Medicine Hospital, Hohhot 010110, China)
          ABSTRACT    OBJECTIVE To systematically evaluate the quality of the Heat-clearing and symptom-relieving formula and screen
          potential marker components that influence the quality of the formula. METHODS  The contents of 11 components (calycosin-7-O-
          β-D-glucoside,  ononin,  hyperoside,  isoquercitrin,  baicalin,  baicalein,  cryptotanshinone,  tanshinone  ⅡA,  tanshinone  Ⅰ,  senkyunolide
          A,  ferulic  acid)  in  the  Heat-clearing  and  symptom-relieving  formula  were  determined  by  high-performance  liquid  chromatography-
          tandem  mass  spectrometry (HPLC-MS/MS).  Using  the  contents  of  the  aforementioned  components  as  variables,  cluster  analysis
         (CA),  principal  component  analysis (PCA),  and  orthogonal  partial  least  squares-discriminant  analysis (OPLS-DA)  were
          conducted  using  OriginPro  2024  software  and  SIMCA  14.1  software;  marker  components  affecting  the  quality  of  the  Heat-clearing
          and  symptom-relieving  formula  were  then  screened  based  on  the  criteria  of  variable  importance  in  the  projection (VIP)  value>1
          and P<0.05. The comprehensive evaluation of 20 batches of samples was carried out using the entropy weight-technique for order
          preference  by  similarity  to  ideal  solution(TOPSIS)  and  grey  correlation  analysis (GCA)  methods.  RESULTS  The  contents  of  the
          above  11  components  were  7.993-72.866,  4.542-31.228,  727.666-1  901.884,  496.846-1  293.279,  1  995.501-6  779.150,  54.500-
          241.280,  150.302-304.339,  79.698-189.206,  257.118-682.418,  5.498-21.687,  7.524-26.935  μg/g.  CA,  PCA  and  OPLS-DA  results
          showed that 20 batches of samples were grouped into 2 categories. Q1, Q3, Q4, Q7-Q9, Q12, Q15, Q16 were grouped into one
          category, and the rest were grouped into another category; VIP values of ferulic acid, tanshinone ⅡA, baicalin, cryptotanshinone,
          calycosin-7-O-β-D-glucoside  and  ononin  were  all  greater  than  1 (P<0.05).  Both  the  entropy  weight-TOPSIS  and  GCA  methods
                                                              showed  that  the  samples  ranked  in  the  top  11  according  to  the
              Δ 基金项目 内蒙古自治区自然科学基金项目(No.2025MS08135)
             *第一作者 主管药师,硕士研究生。研究方向:中药质量控制方                    euclidean  distance  and  relative  correlation  degree  were  Q2,
          法研究。E-mail:752296653@qq.com                         Q5, Q6, Q10, Q11, Q13, Q14, Q17-Q20. CONCLUSIONS
              # 通信作者 主任医师。研究方向:中医药质量评价。E-mail:                The  established  HPLC-MS/MS  method  is  rapid,  accurate  and
          714456564@qq.com                                    highly  sensitive.  Combined  with  chemical  pattern  recognition


          · 740 ·    China Pharmacy  2026 Vol. 37  No. 6                               中国药房  2026年第37卷第6期
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