基于多维特征网络的藏药诃子质量标记综合判别策略

IF 3 3区 生物学 Q2 BIOCHEMICAL RESEARCH METHODS Phytochemical Analysis Pub Date : 2024-11-10 DOI:10.1002/pca.3463
Qian-Qian Li, Juan Chen
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引用次数: 0

摘要

诃子(TCF)是一种具有极高药用价值的传统中药和藏药,但其质量控制指标仍有待明确。本研究提出了一种策略,通过构建包括有效性、含量、可追溯性和特异性等维度的多维特征网络来明确诃子果的质量指标(Q-markers)。通过建立 TCF-成分-疾病-目标-通路网络,进行了网络药理学分析,以验证 TCF 中化学成分的有效性。通过将指纹图谱分析与 UPLC-QTOF-MS 相结合,在 19 批 TCF 样品中鉴定出 17 种不同成分。通过对大鼠血清药化分析,确定了七种吸收入血的原型成分。以这些确定的成分为候选成分,计算了四个维度的得分,并构建了基于 "蜘蛛网 "模型的多维特征网络。最终,诃子酸、鞣花酸、诃子酸、没食子酸甲酯、没食子酸、诃子酸和三酰基葡萄糖被确定为 TCF 的 Q 标记。本研究筛选出的这些 Q 标记与 TCF 的功效密切相关,可作为 TCF 质量控制的指标成分。
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An Integrative Strategy for Discriminating Quality Markers of Tibetan Medicine Chebulae Fructus Based on Multidimensional Feature Network.

Chebulae Fructus (TCF) is a traditional Chinese medicine and Tibetan medicine with high medicinal value, but its quality control indicators still need clarification. In this study, a strategy was proposed to specify the quality markers (Q-markers) of TCF by constructing a multidimensional feature network that includes dimensions of effectiveness, content, traceability, and specificity. Network pharmacology analysis was performed to validate the effectiveness of the chemical constituents in TCF through creating a TCF-component-disease-target-pathway network. By combining fingerprints analysis with UPLC-QTOF-MS, 17 differential components were identified among 19 batches of TCF samples. Serum pharmacochemical analysis on rats identified seven prototype components absorbed into the blood. The scores for the four dimensions were calculated using these identified components as candidates, and a multidimensional feature network based on the "spider-web" model was constructed. Ultimately, chebulinic acid, ellagic acid, chebulagic acid, methyl gallate, gallic acid, chebulic acid, and trigalloylglucose were clarified as Q-markers of TCF. These Q-markers screened out in this study are closely linked to the efficacy of TCF and can serve as indicator components for quality control of TCF.

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来源期刊
Phytochemical Analysis
Phytochemical Analysis 生物-分析化学
CiteScore
6.00
自引率
6.10%
发文量
88
审稿时长
1.7 months
期刊介绍: Phytochemical Analysis is devoted to the publication of original articles concerning the development, improvement, validation and/or extension of application of analytical methodology in the plant sciences. The spectrum of coverage is broad, encompassing methods and techniques relevant to the detection (including bio-screening), extraction, separation, purification, identification and quantification of compounds in plant biochemistry, plant cellular and molecular biology, plant biotechnology, the food sciences, agriculture and horticulture. The Journal publishes papers describing significant novelty in the analysis of whole plants (including algae), plant cells, tissues and organs, plant-derived extracts and plant products (including those which have been partially or completely refined for use in the food, agrochemical, pharmaceutical and related industries). All forms of physical, chemical, biochemical, spectroscopic, radiometric, electrometric, chromatographic, metabolomic and chemometric investigations of plant products (monomeric species as well as polymeric molecules such as nucleic acids, proteins, lipids and carbohydrates) are included within the remit of the Journal. Papers dealing with novel methods relating to areas such as data handling/ data mining in plant sciences will also be welcomed.
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