基于中药双向调节药效特异性的西洋参质量评价方法研究

The dual-effect of traditional Chinese medicine (TCM) is the feature and superiority of Chinese Medicine which embodies the holism and specificity of Chinese Medicine theoretical system. However, the current quality evaluation criteria and quality evaluation index of TCM are not complete, which cannot reflect specificity of dual-effect of TCM perfectly and objectively. For this limitation, the project proposes a research strategy to establish the rigour relevance between holistic components and specific dual-effect. American ginseng was used as an example of dual-effect herbs to develop the strategies and approaches on the quality-markers (Q-markers). Based on the dual-effect of “Bu-Xie” (“Buqi and Qingre”), the multi-source information fusion methodology was employed to effectively integrate the holistic quality information and specific dual-effect information. The precision quantitative model was established through Multi-Block Partial Least Squares (MB-PLS) algorithm. Then block importance in the projection (BIP) algorithm and variable importance in projection (VIP) scores analysis were conducted to confirm and quantify the Q-markers of specific dual-effect. Furthermore, multi-source effective components index (Ms-ECI) was constructed to quantify the dual-effect value of and the weight of efficacy index of Q-markers. The project firstly puts forward an innovative reference for precise and holistic quality evaluation of TCM with dual-effect on a comprehensive multi-source information fusion technique, which enriches and perfects the quality evaluation of TCM.

中药双向调节药效体现了中医理论整体性与特异性的对立统一。然而，现行中药质量评价标准和质量评价指标，不能全面客观地反映中药双向调节药效的特异性。针对此局限，本项目提出中药质量要素整体性与双向调节药效特异性相结合的质量评价思路。以西洋参“补泻”（补气清热）双向调节药效为切入点，采用多块偏最小二乘（MB-PLS）算法建立中药整体质量信息与双向调节药效特异信息的相关性模型，通过模块投影重要性（BIP）和VIP得分变量分析法辨识双向调节药效的质量标志物（Q-marker），进而结合多源质量指数（Ms-QI）有效表征质量标志物与双向调节药效之间定量模型并明确其贡献度，实现西洋参质量的精准评价。本项目以西洋参为载体，采用多源信息融合技术，构建中药双向调节药效特异性的质量评价方法，对完善中药质量评价体系具有重要意义。

本项目以西洋参“补泻”（补气清热）双向调节药效为切入点，建立中药质量要素整体性与双向调节药效特异性相结合的质量评价方法。采用超高压液相-质谱仪（UPLC-MS）和激光诱导击穿光谱（LIBS）等多元化质量分析手段测定中药有机成分和关键元素的含量，建立指纹图谱，全息西洋参整体质量影响因素；进而采用偏最小二乘法建立西洋参的判别模型，通过VIP得分变量分析法辨识质量标志物。围绕多源信息融合技术，通过网络药理学结合文献分析辨析西洋参“补气”与“清热”作用的潜在质量标志物。本研究发现：①利用西洋参的质谱信息，并结合对照品及相关文献查阅共鉴定推测了西洋参中 30个有机成分；②定量分析西洋参中拟人参皂苷F11、人参皂苷 Rg1、人参皂苷 Rb1等8种人参皂苷的含量；西洋参中人参皂苷Rb1的含量和相对比例明显高于人参皂苷 Rg1含量；③获取西洋参中元素特征图谱，共辨识18种元素谱线和2个C-N分子谱带；④在 PLS-DA 模型中，VIP 得分大于 1.0的C、Mg和Ca为西洋参潜在的元素质量标志物；⑤采用多源信息融合的方法，结合网络药理学与文献分析辨析西洋参种的人参皂苷（Rg1、Rb1、Rc、Rd、F11）“补气”与“清热”作用的潜在质量标志物；阐释西洋参“补泻”双向调节药效特异性质量评价的科学内涵。