A Metabolomics and Network Pharmacology Approach Using LC–MS to Investigate the Mechanisms of Fufang Ejiao Jiang in Treating Chemotherapy-Induced Myelosuppression

IF 1.8 3区化学 Q4 BIOCHEMICAL RESEARCH METHODS

Rapid Communications in Mass Spectrometry Pub Date : 2026-10-12 DOI:10.1002/rcm.70194

Mingxin Guo, Yingjie Liu, Zhiqiang Hu, Ying Du

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引用次数: 0

Abstract

Objective

This study aimed to investigate the mechanism and pharmacologically active compounds of Fufang Ejiao Jiang (FFEJJ) in the prevention and treatment of myelosuppression after chemotherapy (MAC) through a combination of serum metabolomics and network pharmacology.

Methods

Sprague Dawley rats were randomly assigned to three groups: the blank group, the model group, and the FFEJJ group (10.8 g/kg). A MAC rat model was induced using cyclophosphamide. Simultaneously with model establishment, rats were intragastrically administered once daily for 15 consecutive days. The routine blood parameters of the rats were measured, and pathological changes in the spleen and bone marrow were observed. Nontargeted serum metabolomics was employed to identify differential metabolites associated with MAC and their related pathways. Liquid chromatography-mass spectrometry (LC–MS) was used to analyze the chemical composition of FFEJJ, and its mechanism and pharmacologically active compounds in the treatment of MAC were further predicted using network pharmacology.

Results

FFEJJ significantly improved the hematopoietic function of bone marrow in the MAC model rats. Compared to the blank group, the model group exhibited obvious spleen injury and bone marrow disorder, with noticeable fatty infiltration in the bone marrow cavity. Following FFEJJ treatment, the condition of spleen tissue and bone marrow in MAC rats was significantly improved. Serum metabolomics analysis of endogenous metabolites identified 14 differential metabolites associated with the MAC mechanism in both positive and negative ion modes, primarily involving pathways such as aminoacyl-tRNA biosynthesis, primary bile acid biosynthesis, and unsaturated fatty acid biosynthesis. Using LC–MS, 31 components were identified in FFEJJ. Network pharmacology predictions suggest that the potential pharmacologically active compounds of FFEJJ in the treatment of MAC include apigenin, oleanolic acid, maslinic acid, and azelaic acid. The underlying mechanism may be partly associated with the phosphatidylinositol 3-kinase/serine-threonine kinase (PI3K-Akt) signaling pathway.

Conclusion

FFEJJ promotes hematopoietic recovery in MAC rats, likely by regulating endogenous metabolic disorders. Apigenin, oleanolic acid, maslinic acid, and azelaic acid are predicted to be multitarget active compounds, with PI3K-Akt signaling as a candidate pathway.

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利用LC-MS的代谢组学和网络药理学方法研究复方阿胶江治疗化疗诱导骨髓抑制的机制。

目的：本研究旨在通过血清代谢组学和网络药理学相结合的方法，探讨复方阿胶江（FFEJJ）防治化疗后骨髓抑制（MAC）的作用机制和药理活性成分。方法：将sd大鼠随机分为空白组、模型组和FFEJJ组（10.8 g/kg）。采用环磷酰胺建立MAC大鼠模型。在造模的同时，大鼠每天灌胃1次，连续15 d。测定大鼠血常规参数，观察脾、骨髓病理变化。非靶向血清代谢组学用于鉴定与MAC相关的差异代谢物及其相关途径。采用液相色谱-质谱（LC-MS）分析了FFEJJ的化学成分，并利用网络药理学进一步预测了其治疗MAC的作用机制和药理活性成分。结果：FFEJJ能明显改善MAC模型大鼠骨髓造血功能。与空白组比较，模型组小鼠脾损伤明显，骨髓功能紊乱，骨髓腔内可见脂肪浸润。经FFEJJ治疗后，MAC大鼠脾组织和骨髓状况均有明显改善。内源性代谢物的血清代谢组学分析发现了14种与MAC机制相关的正负离子模式差异代谢物，主要涉及氨基酰基trna生物合成、初级胆汁酸生物合成和不饱和脂肪酸生物合成等途径。采用液相色谱-质谱法，鉴定出FFEJJ中31种成分。网络药理学预测表明，FFEJJ治疗MAC的潜在药理活性化合物包括芹菜素、齐墩果酸、山茱萸酸和壬二酸。其潜在机制可能部分与磷脂酰肌醇3-激酶/丝氨酸-苏氨酸激酶（PI3K-Akt）信号通路有关。结论：FFEJJ可能通过调节内源性代谢紊乱促进MAC大鼠造血功能恢复。芹菜素、齐墩果酸、山茱萸酸和壬二酸被预测为多靶点活性化合物，PI3K-Akt信号通路作为候选途径。

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

Rapid Communications in Mass Spectrometry 化学-分析化学

CiteScore

4.10

自引率

5.00%

发文量

219

审稿时长

2.6 months

期刊介绍： Rapid Communications in Mass Spectrometry is a journal whose aim is the rapid publication of original research results and ideas on all aspects of the science of gas-phase ions; it covers all the associated scientific disciplines. There is no formal limit on paper length ("rapid" is not synonymous with "brief"), but papers should be of a length that is commensurate with the importance and complexity of the results being reported. Contributions may be theoretical or practical in nature; they may deal with methods, techniques and applications, or with the interpretation of results; they may cover any area in science that depends directly on measurements made upon gaseous ions or that is associated with such measurements.