[基于代谢组学和网络药理学的预梅黄酮类化合物评价]。

Q4 Biochemistry, Genetics and Molecular Biology
Dan Zhou, Yanbei Zhao, Zixu Wang, Qingwei Li
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引用次数: 0

摘要

黄酮类化合物是评价金银花药理活性的关键生物活性成分。探索早熟草潜在的类黄酮及其药理机制,为该植物的合理开发和高效利用奠定基础。本研究采用超高效液相色谱-串联质谱为基础的广泛靶向代谢组学方法,对早熟草中的黄酮类化合物进行综合鉴定。采用网络药理学方法对黄酮类化合物的生物活性及其作用机制进行了研究。采用分子对接方法对预测结果进行验证。最后,测定了不同品种青梅中生物活性黄酮类化合物的含量。广泛靶向代谢组学分析鉴定出早樱中387种黄酮类化合物,不同品种间黄酮类化合物含量存在差异。网络药理学预测96种化学成分,其中生物活性化合物19种,对应靶点181个,疾病靶点2 504个,其中活性成分与疾病共有靶点99个。共预测到33个核心靶点,涉及229个基因本体术语和99条通路(P≤0.05),说明早熟草黄酮类成分具有抗氧化、抗炎、抗菌和抗病毒等药理活性。拓扑分析筛选出5个核心成分(salvigenin、laricitrin、异鼠李素、槲皮素、6-羟基木草素)和5个核心靶点(SRC、PIK3R1、AKT1、ESR1、AKR1C3)。预测得到的预估活性总黄酮与关键靶点稳定结合,表明这些总黄酮在与靶点的相互作用中具有潜在的生物活性。早熟草黄酮类化合物具有多组分、多靶点、多通路的药理活性。代谢组学和网络药理学的结合应用,为深入研究早熟草的药理作用和机制提供了理论基础。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
[Evaluation of flavonoids in Chimonanthus praecox based on metabolomics and network pharmacology].

Flavonoids are key bioactive components for evaluating the pharmacological activities of Chimonanthus praecox. Exploring the potential flavonoids and pharmacological mechanisms of C. praecox lays a foundation for the rational development and efficient utilization of this plant. This study employed ultra-performance liquid chromatography-tandem mass spectrometry-based widely targeted metabolomics to comprehensively identify the flavonoids in C. praecox. Network pharmacology was employed to explore the bioactive flavonoids and their mechanisms of action. Molecular docking was adopted to validate the predicted results. Finally, the content of bioactive flavonoids in different varieties of C. praecox was measured. The widely targeted metabolomics analysis identified 387 flavonoids in C. praecox, and the flavonoids varied among different varieties. Network pharmacology predicted 96 chemical components including 19 bioactive compounds, 181 corresponding targets and 2 504 disease targets, among which 99 targets were shared by the active components and the disease. Thirty-three core targets were predicted, involving 229 gene ontology terms and 99 pathways (P≤0.05), which indicated that the flavonoids components of C. praecox exhibited pharmacological activities including antioxidant, anti-inflammatory, antimicrobial, and antiviral activities. Topological analysis screened out five core components (salvigenin, laricitrin, isorhamnetin, quercetin, and 6-hydroxyluteolin) and five core targets (SRC, PIK3R1, AKT1, ESR1, and AKR1C3). The predicted bioactive flavonoids from C. praecox stably bound to key targets, which indicated that these flavonoids possessed potential bioactivities in their interactions with the targets. The flavonoids in C. praecox exerted pharmacological activities in a multi-component, multi-target, and multi-pathway manner. The combined application of metabolomics and network pharmacology provides a theoretical basis for in-depth studies on the pharmacological effects and mechanisms of C. praecox.

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来源期刊
Sheng wu gong cheng xue bao = Chinese journal of biotechnology
Sheng wu gong cheng xue bao = Chinese journal of biotechnology Biochemistry, Genetics and Molecular Biology-Biotechnology
CiteScore
1.50
自引率
0.00%
发文量
298
期刊介绍: Chinese Journal of Biotechnology (Chinese edition) , sponsored by the Institute of Microbiology, Chinese Academy of Sciences and the Chinese Society for Microbiology, is a peer-reviewed international journal. The journal is cited by many scientific databases , such as Chemical Abstract (CA), Biology Abstract (BA), MEDLINE, Russian Digest , Chinese Scientific Citation Index (CSCI), Chinese Journal Citation Report (CJCR), and Chinese Academic Journal (CD version). The Journal publishes new discoveries, techniques and developments in genetic engineering, cell engineering, enzyme engineering, biochemical engineering, tissue engineering, bioinformatics, biochips and other fields of biotechnology.
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