基于指纹图谱和网络药理学的苍术质量指标预测分析。

IF 1.7 4区 农林科学 Q3 CHEMISTRY, ANALYTICAL
Yanyun Zhao, Xinxin Chang, Xian Gu, Yang Li, Yuguang Zheng, Huiyong Fang
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引用次数: 1

摘要

背景:苍术(Atractylodes chinensis)Koidz。(a . chinensis)是一种多年生草本植物,被广泛用作治疗胃病的中药。然而,该草药的生物活性成分尚未确定,质量控制也不完善。目的:虽然已有相关文献报道了高效液相色谱(HPLC)指纹图谱质量评价方法,但所选择的化学标记物是否能代表其临床疗效尚不清楚。目的:建立羊草的定性分析方法和改进的质量评价方法。方法:采用高效液相色谱法建立指纹图谱并进行相似度评价。采用主成分分析(PCA)和正交偏最小二乘判别分析(OPLS-DA)分析指纹图谱的差异。采用网络药理学方法对活性成分对应靶点进行分析。同时,通过构建有效成分-靶点-通路网络,探讨五倍子药用功效的特点,预测潜在的q -marker。结果:结合网络药理有效性和成分特异性,结合Q-marker概念,预测白术素(ATD)、β-苦参酚(β-eudesmol)、白术内酯Ι (AT-I)和白术内酯III (AT-III)通过作用于10个核心靶点和20个关键通路,具有抗炎、抗抑郁、抗胃和抗病毒的潜在Q-marker作用。结论:本研究建立的高效液相色谱指纹图谱方法简便,鉴定出的4种有效成分可作为羊草的q标记。本研究结果可为五倍子药材质量评价提供有效依据,并为其他药材质量评价提供参考。重点:将苍术的指纹图谱与网络药理学有机结合,进一步明确了苍术的质量控制标准。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Predictive Analysis of Quality Markers of Atractylodis Rhizoma Based on Fingerprint and Network Pharmacology.

Background: Atractylodes chinensis (DC.) Koidz. (A. chinensis) is a perennial herbaceous plant that is widely used as a Chinese medicine herb for gastric diseases. However, the bioactive compounds of this herbal medicine have not been defined, and quality control is imperfect.

Objective: Although the method of quality evaluation method for A. chinensis by high-performance liquid chromatography (HPLC) fingerprinting has been reported in related papers, it remains unknown whether the chemical markers selected are representative of their clinical efficacy. To develop methods for qualitative analysis and improved quality evaluation of A. chinensis.

Method: In this study, HPLC was used to establish fingerprints and conduct similarity evaluation. Principal component analysis (PCA) and orthogonal partial least squares discriminant analysis (OPLS-DA) were used to reveal the differences of these fingerprints. Network pharmacology was used to analyze the corresponding targets of the active ingredients. Meantime, an active ingredient-target-pathway network was constructed to investigate the characteristics of the medical efficacy of A. chinensis and to predict potential Q-markers.

Results: Combining network pharmacological effectiveness and composition specificity with the Q-marker concept, atractylodin (ATD), β-eudesmol, atractylenolide Ι (AT-I) and atractylenolide III (AT-III) were predicted to be potential Q-markers of A. chinensis that showed anti-inflammatory, antidepressant, anti-gastric, and antiviral effects by acting on 10 core targets and 20 key pathways.

Conclusions: The HPLC fingerprinting method established in this study is straightforward, and the identified four active constituents can be used as Q-markers of A. chinensis. These findings facilitate effective quality evaluation of A. chinensis and suggest this approach could be applied to evaluate the quality of other herbal medicines.

Highlights: The fingerprints of Atractylodis rhizoma were organically combined with network pharmacology to further clarify its criteria for quality control.

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来源期刊
Journal of AOAC International
Journal of AOAC International 医学-分析化学
CiteScore
3.10
自引率
12.50%
发文量
144
审稿时长
2.7 months
期刊介绍: The Journal of AOAC INTERNATIONAL publishes the latest in basic and applied research in analytical sciences related to foods, drugs, agriculture, the environment, and more. The Journal is the method researchers'' forum for exchanging information and keeping informed of new technology and techniques pertinent to regulatory agencies and regulated industries.
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