Prediction of Lycii Cortex Quality Marker Based on Network Pharmacology and Chemometrics Methods.

IF 1.5 4区 化学 Q3 CHEMISTRY, ANALYTICAL International Journal of Analytical Chemistry Pub Date : 2024-10-22 eCollection Date: 2024-01-01 DOI:10.1155/2024/1790697
Xinrui Wang, Guotong Li, Haoqiang Ding, Xiqin Du, Lanying Zhang, Jingze Zhang, Dailin Liu
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Abstract

Based on the effectiveness, measurability, and traceability of the quality marker (Q-marker) theory of traditional Chinese medicine, the Q-marker of Lycii Cortex (LC) was preliminarily predicted and analyzed. A UPLC-Q-TOF-MS qualitative analysis method for LC samples was established. A total of 44 LC chemical components, 16 plasma prototype components, 25 urine prototype components, and 27 fecal prototype components were identified. At the same time, the "component-target-disease" network diagram was constructed by network pharmacology to predict the potential active components of LC. A UPLC-MS/MS quantitative analysis method was established to determine the contents of 11 components such as kukoamine A in 35 batches of LC from seven producing areas. Principal component analysis, orthogonal partial least squares discriminant analysis, and other mathematical analysis methods were used to screen the differential components. Based on the comprehensive consideration of the Q-marker traceability, transitivity, specificity, effectiveness, and measurability, kukoamine A and kukoamine B were preliminarily predicted as LC potential Q-markers, and the high-quality producing area was determined to be Chengcheng County, Weinan City, Shaanxi Province. The prediction analysis of the LC Q-marker provides a reference for the comprehensive control of the quality of LC medicinal materials and also lays a foundation for the research and exploration of the substance basis and mechanism of action of LC.

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基于网络药理学和化学计量学方法的枸杞皮质质量标记预测
根据中药质量标志物(Q-marker)的有效性、可测性和可追溯性理论,对枸杞皮的Q-marker进行了初步预测和分析。建立了枸杞样品的 UPLC-Q-TOF-MS 定性分析方法。共鉴定出 44 种 LC 化学成分、16 种血浆原型成分、25 种尿液原型成分和 27 种粪便原型成分。同时,利用网络药理学构建了 "成分-靶标-疾病 "网络图,预测了液相色谱的潜在活性成分。建立了UPLC-MS/MS定量分析方法,测定了7个产区35批次液化石油气中Kukoamine A等11种成分的含量。采用主成分分析、正交偏最小二乘判别分析等数学分析方法对差异成分进行了筛选。在综合考虑Q标记的溯源性、传递性、特异性、有效性和可测量性的基础上,初步预测Kukoamine A和Kukoamine B为LC潜在Q标记,并确定优质产区为陕西省渭南市澄城县。通过对茯苓Q标记物的预测分析,为全面控制茯苓药材质量提供了参考,也为研究和探索茯苓的物质基础和作用机理奠定了基础。
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来源期刊
CiteScore
3.10
自引率
5.60%
发文量
117
期刊介绍: International Journal of Analytical Chemistry publishes original research articles that report new experimental results and methods, especially in relation to important analytes, difficult matrices, and topical samples. Investigations may be fundamental, or else related to specific applications; examples being biological, environmental and food testing, and analysis in chemical synthesis and materials processing. As well as original research, the International Journal of Analytical Chemistry also publishes focused review articles that examine the state of the art, identify emerging trends, and suggest future directions for developing fields.
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