Shanghai Key Laboratory of Functional Materials Chemistry, School of Chemistry and Molecular Engineering, East China University of Science and Technology, Shanghai, 200237, China.
Shanghai Key Laboratory of Functional Materials Chemistry, School of Chemistry and Molecular Engineering, East China University of Science and Technology, Shanghai, 200237, China; State Key Laboratory of Plateau Ecology and Agriculture, Qinghai University, Xining, 810016, China.
J Pharm Biomed Anal. 2021 Feb 5;194:113771. doi: 10.1016/j.jpba.2020.113771. Epub 2020 Nov 20.
Zhishi-Xiebai-Guizhi Decoction (ZSXBGZD), a traditional Chinese medicine (TCM) formula, has been used for treatment of coronary heart disease and myocardial infarction for nearly two thousand years. However, the chemical composition of ZSXBGZD is still unclear. In order to obtain the chemical profile of ZSXBGZD, an ultra-performance liquid chromatography coupled with quadrupole-time-of-flight mass spectrometry (UPLC-Q-TOF-MS) method was utilized for the identification of its multi-constituents. As a result, a total of 148 compounds were identified based on their retention times, accurate masses and MS/MS data. In addition, an optimized UPLC fingerprint analysis, combined with chemometrics such as similarity analysis (SA), hierarchical cluster analysis (HCA), principal component analysis (PCA) and orthogonal partial least squares-discriminant analysis (OPLS-DA) was developed for quality assessment of ZSXBGZD. Multivariate data analysis revealed that samples could be classified correctly according to their geographic origins, and four compounds neohesperidin, naringin, guanosine and adenosine contributed the most to classification. The established UPLC method with multi-wavelength detection was further validated and implemented for simultaneous quantification of 12 representative ingredients in the prescription, including guanosine, adenosine, 2'-deoxyadenoside, syringin, magnoloside A, forsythoside A, naringin, hesperidin, cinnamaldehyde, neohesperidin, honokiol and magnolol. This is the first report on the comprehensive profiling of major chemical components in ZSXBGZD. The results of the study could help to uncover the chemical basis of ZSXBGZD and possess potential value for quality evaluation purpose.
知识泻白桂枝汤（ZSXBGZD）是一种中药方剂，用于治疗冠心病和心肌梗死已有近两千年的历史。然而，其化学成分仍不清楚。为了获得 ZSXBGZD 的化学成分谱，采用超高效液相色谱-四极杆飞行时间质谱联用（UPLC-Q-TOF-MS）法对其多成分进行鉴定。结果，根据保留时间、精确质量和 MS/MS 数据，共鉴定出 148 种化合物。此外，建立了一种优化的 UPLC 指纹图谱分析方法，并结合相似性分析（SA）、层次聚类分析（HCA）、主成分分析（PCA）和正交偏最小二乘判别分析（OPLS-DA）等化学计量学方法，对 ZSXBGZD 的质量进行评估。多变量数据分析表明，根据地理来源，样品可以正确分类，4 种化合物新橙皮苷、柚皮苷、鸟苷和腺苷对分类的贡献最大。建立的多波长检测 UPLC 方法进一步得到验证，并用于同时定量测定处方中的 12 种代表性成分，包括鸟苷、腺苷、2'-脱氧腺苷、丁香苷、玉兰脂 A、连翘酯苷 A、柚皮苷、橙皮苷、桂皮醛、新橙皮苷、厚朴酚和和厚朴酚。这是首次对 ZSXBGZD 主要化学成分进行全面分析的报告。该研究结果有助于揭示 ZSXBGZD 的化学基础，并具有质量评估的潜在价值。
