Integrated GNPS, semi-preparative HPLC, and network pharmacology reveal active ingredients and potential machenisms of Paeonia suffruticosa Andr. leaves in treating endometriosis with anxiety/depression

IF 2.8 3区医学 Q2 BIOCHEMICAL RESEARCH METHODS

Journal of Chromatography B Pub Date : 2025-09-15 DOI:10.1016/j.jchromb.2025.124798

Yun-Yuan Tian , Meng-Zhen Fan , Xin-Wen Huang , Qian Luo , Qian Yang , Yao Li , Yun-Yang Lu , Si-Wang Wang

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Abstract

Endometriosis (EMs) with anxiety/depression is a common comorbidity of EMs, yet effective treatments are still lacking. Leaves of Paeonia suffruticosa Andr. (PSL) have potential therapeutic effects on EMs and their associated psychiatric disorders. In this study, 57 chemical compounds were identified using Global Natural Products Social Molecular Networking (GNPS) and semi-preparative HPLC. Network pharmacology analysis revealed that these compounds shared 68 common targets with the disease, primarily enriched in the PI3K/AKT signaling pathway. Protein-protein interaction analysis identified TNF, IL-6, ESR1, AKT1, and TP53 as core targets. Molecular docking confirmed that apigenin, quercetin, kaempferol, luteolin, and isorhamnetin exhibited strong binding affinities with these core targets. In conclusion, PSL may exert beneficial effects in treating EMs with anxiety/depression by modulating the PI3K/AKT signaling pathway through key targets including TNF, IL-6, ESR1, AKT1, and TP53.

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综合GNPS、半制备高效液相色谱和网络药理学，揭示了牡丹的有效成分和潜在机制。叶片在治疗子宫内膜异位症与焦虑/抑郁

子宫内膜异位症（EMs）伴焦虑/抑郁是EMs的常见合并症，但目前仍缺乏有效的治疗方法。芍药叶。（PSL）对EMs及其相关精神疾病有潜在的治疗作用。本研究利用全球天然产物社会分子网络（GNPS）和半制备高效液相色谱（HPLC）鉴定了57种化合物。网络药理学分析显示，这些化合物与疾病有68个共同靶点，主要富集于PI3K/AKT信号通路。蛋白相互作用分析确定TNF、IL-6、ESR1、AKT1和TP53为核心靶点。分子对接证实，芹菜素、槲皮素、山奈酚、木犀草素和异鼠李素与这些核心靶点具有很强的结合亲和力。综上所述，PSL可能通过TNF、IL-6、ESR1、AKT1和TP53等关键靶点调节PI3K/AKT信号通路，从而在治疗焦虑/抑郁的EMs中发挥有益作用。

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来源期刊

Journal of Chromatography B 医学-分析化学

CiteScore

5.60

自引率

3.30%

发文量

306

审稿时长

44 days

期刊介绍： The Journal of Chromatography B publishes papers on developments in separation science relevant to biology and biomedical research including both fundamental advances and applications. Analytical techniques which may be considered include the various facets of chromatography, electrophoresis and related methods, affinity and immunoaffinity-based methodologies, hyphenated and other multi-dimensional techniques, and microanalytical approaches. The journal also considers articles reporting developments in sample preparation, detection techniques including mass spectrometry, and data handling and analysis. Developments related to preparative separations for the isolation and purification of components of biological systems may be published, including chromatographic and electrophoretic methods, affinity separations, field flow fractionation and other preparative approaches. Applications to the analysis of biological systems and samples will be considered when the analytical science contains a significant element of novelty, e.g. a new approach to the separation of a compound, novel combination of analytical techniques, or significantly improved analytical performance.