基于谱效关联分析的广枣在三味檀香散中的作用研究

Effect of Guangzao in Sanwei Sandalwood Powder Based on Spectrum-effect Correlation Analysis

目的:基于谱效关联分析探讨广枣在三味檀香散治疗心血管疾病中的药效及物质基础。方法:采用高效液相色谱串联四极杆-静电场轨道阱高分辨质谱法(HPLC-Q-Exactive-MS/MS)对三味檀香散及其君药广枣进行成分分析和归属鉴别,采用ACEEXCEL3 C18-PFP色谱柱(100 mm×3 mm,3μm),以0.2%甲酸甲醇溶液-0.2%甲酸水溶液为流动相进行梯度洗脱,流速为0.3 mL·min^(–1),柱温为35℃;正、负离子模式采集数据,依据质谱数据、对照品及文献比对,对三味檀香散和广枣的化学成分进行归属鉴定。以斑马鱼血栓模型、小鼠巨噬细胞RAW246.7炎症模型、大鼠心肌细胞H9c2氧化损伤模型为药效评价手段,采用灰色关联度分析谱效关系。结果:识别三味檀香散中48个成分、广枣中22个成分,其中共有成分20个,经与对照品比对确认12个成分;基于灰色关联度分析发现广枣的药效活性主要体现在抗氧化方面,抗炎活性次之,无抗血栓形成作用,其抗氧化活性关联度最大的化合物为儿茶素和柚皮素,抗炎活性关联度最大的为柚皮素。结论:三味檀香散的药效活性是各药味多种成分协同作用的结果;灰色关联度分析可作为筛选与预测中药药效物质组分的有效方法。

Objective:To explore the pharmacodynamic and material basis of Guangzao in Sanwei Sandalwood powder treating cardiovascular diseases based on spectrum-effect correlation analysis.Methods:High performance liquid chromatography tandem quadrupole electrostatic field orbital trap high resolution mass spectrometry(HPLC-Q-Exactive-MS/MS)detection system was adopted to identify the components of Sanwei Sandalwood powder and its king drug Guangzao.Additionally,ACEEXCEL3 C18-PFP chromatographic column(100 mm×3 mm,3μm)was employed,and the mobile phase of 0.2%formic acid methanol sloution-0.2%formic acid aqueous solution was utilized for gradient elution.The flow rate was 0.3 mL·min^(–1) and the column temperature was 35℃.The positive and negative ion modes were leveraged to collect data,and the chemical components of Sanwei Sandalwood powder and Guangzao were identified according to mass spectrometry data and comparison of reference substances and references.With the zebrafish thrombosis model,mouse RAW246.7 macrophage inflammation model,and rat H9c2 myocardial cell oxidative damage model as the pharmacodynamic evaluation means,the gray correlation analysis was employed to analyze the spectrum-effect relationship.Results:A total of 48 components in Sanwei Sandalwood powder and 22 components in Guangzao were identified,including 20 components in common.A total of 12 components were confirmed by comparison with the reference substances.Based on the gray correlation analysis,the pharmacodynamic activity of Guangzao was mainly reflected in antioxidation,followed by the anti-inflammatory activity,without antithrombotic effect.The compounds with the largest correlation degree of antioxidative activity were catechin and naringen,and the compound with the largest correlation degree of anti-inflammatory activity was naringen.Conclusion:The synergetic action of various components of each drug leads to the pharmacodynamic activity of Sanwei Sandalwood powder,and the gray correlation analysis can be employed as an effective method to screen and predict the components of active substances in traditional Chinese medicine.