背景:远志(PFH)是广西广泛使用的草药,中国。目前,PFH的研究主要集中在提取技术和栽培方面,缺乏系统评价的质量控制标准。
目的:该研究旨在评估不同来源的PFH的质量,并预测有助于评估质量的标志物。
方法:采用超高效液相色谱法(UPLC)对15批PFH样品进行指纹分析,并采用层次聚类分析(HCA)评估相似度,主成分分析(PCA),和正交偏最小二乘判别(OPLS-DA)。通过数学分析对微分成分进行筛选,并结合网络药理学构建了“组分-目标-途径”网络图,预测了PFH的质量标记(Q标记),并进行定量分析。
结果:对15个批次的PFH进行了指纹识别,有11个常见的山峰,峰5被鉴定为4-羟基苯甲酸,这与HCA的结果基本一致,PCA,OPLS-DA.网络药理学筛选了18种潜在化合物,45个核心目标,和20条关键途径,集成指纹识别,模式识别,和网络药理学方法。可以识别可测试性原理的潜在Q标记之一,功效,特异性是4-羟基苯甲酸,其含量范围为0.0188至1.4517mg/g。
结论:通过整合指纹图谱预测PFH的潜在Q标记,模式识别,和网络药理学分析,为PFH质量的整体控制和评价提供了科学依据,也为多基础中药质量标准的研究提供了理论参考。
BACKGROUND: Polygala fallax Hemsl (PFH) is a widely used herbal medicine in Guangxi, China. At present, research on PFH mainly focuses on extraction technology and cultivation, lacking quality control standards for systematic evaluation.
OBJECTIVE: The study aimed to assess the quality of PFH from different sources and to predict markers that would help assess quality.
METHODS: Fingerprinting of 15 batches of PFH samples was performed by ultra-high performance liquid chromatography (UPLC) and similarity was assessed using hierarchical cluster analysis (HCA), principal component analysis (PCA), and orthogonal partial least squares discrimination (OPLS-DA). Differential components were screened by mathematical analysis, and a \"component-target-pathway\" network map was constructed in combination with network pharmacology, quality markers (Q-markers) of PFH were predicted, and quantitative analysis was performed.
RESULTS: Fifteen batches were fingerprinted for PFH, with 11 common peaks, and peak 5 was identified as 4-hydroxybenzoic acid, which was generally consistent with the results of HCA, PCA, and OPLS-DA. Network pharmacology screened 18 potential compounds, 45 core targets, and 20 key pathways, integrating fingerprinting, pattern recognition, and network pharmacology methods. One of the potential Q-markers that can identify the principle of testability, efficacy, and specificity is 4-hydroxybenzoic acid, whose content ranges from 0.0188 to 1.4517 mg/g.
CONCLUSIONS: The potential Q-markers of PFH were predicted by integrating fingerprinting, pattern recognition, and network pharmacological analysis, which provided a scientific basis for the overall control and evaluation of the quality of PFH and a theoretical reference for the study of the quality standard of multi-base traditional Chinese medicine.