Screening the active contituents from duhaldea nervosa via integrated UHPLC-Q-exactive Orbitrap-MS and network pharmacology.

IF 1.3 4区医学 Q4 PHARMACOLOGY & PHARMACY

Xenobiotica Pub Date : 2025-07-02 DOI:10.1080/00498254.2025.2523961

Lianghong Liu, Kailin Li, Mingjuan Liu, Lian Zhu, Zichao Shang, Wei Cai

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引用次数: 0

Abstract

Duhaldea nervosa (Wallich ex Candolle) A. Anderberg (Asteraceae) (D. nervosa), has been used as a folk medicine for the treatment of diseases including bone fractures and bone wounds. However, the metabolic profiling of D. nervosa and mechanism of action for treating fracture are unknown.In this study, an integrated analysis method based on UHPLC-Q-Exactive Orbitrap MS and network pharmacology was established to research the metabolic characteristic of D. nervosa. Serum in the blank group and drug group were collected after intragastric administration of D. nervosa. The serum samples were analysed using UHPLC-MS. In addition, network pharmacology and cell proliferation assays were used to analysis the mechanism of fracture healing of D. nervosa.A total of 62 constituents, including 24 prototype compounds and 38 metabolites were identified in rat serum. The result of network pharmacology revealed that the fracture healing effect of 23 metabolites was probably acting through 65 genes targets. Serum samples promoted osteoblast proliferation in a concentration-dependent manner in mouse osteoblast cell line (MC3T3-E1 cells).To our best knowledge, it is the first time to report the constituents in vivo of D. nervosa. This work provided a general method for understanding the bioactive compounds of D. nervosa.

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结合UHPLC-Q-Exactive Orbitrap-MS和网络药理学技术筛选海参有效成分。

杜haldea nervosa (Wallich ex Candolle) a . Anderberg (Asteraceae) （D. nervosa）已被用作民间药物，用于治疗包括骨折和骨创伤在内的疾病。然而，神经曲霉的代谢谱和治疗骨折的作用机制尚不清楚。本研究建立了一种基于UHPLC-Q-Exactive Orbitrap MS和网络药理学的综合分析方法，研究神经花的代谢特性。空白组和给药组大鼠灌胃给药后采集血清。采用UHPLC-MS对血清样品进行分析。此外，通过网络药理学和细胞增殖实验，分析了神经棘骨骨折愈合的机制。在大鼠血清中共鉴定出62种成分，包括24种原型化合物和38种代谢物。网络药理学结果显示，23种代谢物的骨折愈合作用可能通过65个基因靶点起作用。血清样品对小鼠成骨细胞系（MC3T3-E1细胞）成骨细胞增殖具有浓度依赖性。据我们所知，这是第一次报道这种植物的体内成分。这项工作为了解神经草的生物活性成分提供了一种通用的方法。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Xenobiotica 医学-毒理学

CiteScore

3.80

自引率

5.60%

发文量

审稿时长

2 months

期刊介绍： Xenobiotica covers seven main areas, including:General Xenobiochemistry, including in vitro studies concerned with the metabolism, disposition and excretion of drugs, and other xenobiotics, as well as the structure, function and regulation of associated enzymesClinical Pharmacokinetics and Metabolism, covering the pharmacokinetics and absorption, distribution, metabolism and excretion of drugs and other xenobiotics in manAnimal Pharmacokinetics and Metabolism, covering the pharmacokinetics, and absorption, distribution, metabolism and excretion of drugs and other xenobiotics in animalsPharmacogenetics, defined as the identification and functional characterisation of polymorphic genes that encode xenobiotic metabolising enzymes and transporters that may result in altered enzymatic, cellular and clinical responses to xenobioticsMolecular Toxicology, concerning the mechanisms of toxicity and the study of toxicology of xenobiotics at the molecular levelXenobiotic Transporters, concerned with all aspects of the carrier proteins involved in the movement of xenobiotics into and out of cells, and their impact on pharmacokinetic behaviour in animals and manTopics in Xenobiochemistry, in the form of reviews and commentaries are primarily intended to be a critical analysis of the issue, wherein the author offers opinions on the relevance of data or of a particular experimental approach or methodology