"UHPLC-Q-TOF/MS-chemometrics-network pharmacology" integrated strategy to discover quality markers of raw and stir-fried Fructus Tribuli and process optimization of stir-fried Fructus Tribuli.

IF 3 3区生物学 Q2 BIOCHEMICAL RESEARCH METHODS Phytochemical Analysis Pub Date : 2024-07-01 Epub Date: 2024-03-15 DOI:10.1002/pca.3339

Shuai Wang, De-Feng Du, Fei Li, Ming-Yue Chen, Hua-Gang Sheng, Chao Zhang, Fei Guo, Zhi Chen, Guang-Shang Cao

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Abstract

Introduction: Fructus Tribuli, the dried ripe fruit of Tribulus terrestris L., has various beneficial effects, including liver-calming and depression-relieving effects. Raw Fructus Tribuli (RFT) and stir-fried Fructus Tribuli (SFT) are included in the Chinese Pharmacopoeia 2020 edition (Ch. P 2020). However, owing to the lack of specific regulations on SFT-processing parameters in Ch. P 2020, it is difficult to ensure the quality of commercially available SFT.

Objective: The present study aimed to screen the quality markers (Q-markers) of RFT and SFT and optimize the processing technology of SFT based on the identified Q-markers.

Methods: First, the ultra-high-performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (UHPLC-Q-TOF/MS) technology as well as multiple statistical analysis along with network pharmacology was used to comprehensively identify the Q-markers of RFT and SFT. Then, based on single-factor experiments, the Box-Behnken design (BBD) response surface methodology (RSM) was used to optimize the processing technology of SFT and perform process validation.

Results: A total of 63 components were identified in RFT and SFT extracts. Terrestrosin D and Terrestrosin K were initially considered the Q-markers of RFT and SFT, respectively. The optimum processing technology conditions were 208°C, 14 min, and 60 r·min^-1. Three batches of process validation were performed, and the mean composite score was 56.87, with a relative standard deviation (RSD) value of 1.13%.

Conclusion: The content of steroidal saponin components in RFT was significantly different before and after stir-frying. Terrestrosin D and Terrestrosin K were validated as the Q-markers of RFT and SFT, respectively. The identification of Q-markers for RFT and SFT offered a clear index for optimizing the SFT-processing technology and provided a basis for the quality control of RFT and SFT decoction pieces.

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采用 "UHPLC-Q-TOF/MS-化学计量学-网络药理学 "综合策略，发现生炒蒺藜的质量指标并优化炒蒺藜的工艺。

导言：蒺藜是刺蒺藜的干燥成熟果实，具有平肝解郁等多种功效。生蒺藜和炒蒺藜被收载于《中国药典》2020年版（Ch. P 2020）。然而，由于《中国药典》2020 年版缺乏对炒货加工参数的具体规定，市售炒货的质量难以保证：本研究旨在筛选红曲霉和黑曲霉的质量标记（Q-markers），并根据所确定的 Q-markers优化黑曲霉的加工技术：方法：首先，采用超高效液相色谱-四极杆飞行时间质谱（UHPLC-Q-TOF/MS）技术以及多重统计分析和网络药理学方法，全面鉴定了软胶囊和软胶囊的Q标志物。然后，在单因素实验的基础上，采用方框-贝肯设计（BBD）响应面方法（RSM）优化 SFT 的加工工艺并进行工艺验证：结果：在 RFT 和 SFT 提取物中共鉴定出 63 种成分。Terrestrosin D 和 Terrestrosin K 最初分别被认为是 RFT 和 SFT 的 Q 标记。最佳加工技术条件为 208°C、14 分钟和 60 r-min-1。进行了三批工艺验证，平均综合评分为 56.87，相对标准偏差（RSD）值为 1.13%：结论：炒制前后，RFT 中甾体皂苷成分的含量有显著差异。Terrestrosin D 和 Terrestrosin K 分别被确认为 RFT 和 SFT 的 Q 标记。红花苷和黄花苷 Q 标记的确定为优化黄花苷加工技术提供了明确的指标，也为红花苷和黄花苷煎剂的质量控制提供了依据。

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来源期刊

Phytochemical Analysis 生物-分析化学

CiteScore

6.00

自引率

6.10%

发文量

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.