Serum and Urine Metabolite Profiling Combined With Network Pharmacology to Predict the Renoprotective Mechanism of Huangkui Capsule Against Acute Kidney Injury

IF 1.7 4区医学 Q4 BIOCHEMICAL RESEARCH METHODS

Biomedical Chromatography Pub Date : 2026-07-17 DOI:10.1002/bmc.70557

Jin-Jing Shi, Jian-Cheng Liao, Si-Man Qiao, Yu-Ting Tang, Jian-Dong Zou, Chang-Yin Li

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引用次数: 0

Abstract

Huangkui capsule (HKC), the ethanol extract of Abelmoschus Manihot (L.) Medicus, is well known for its nephroprotective effects against chronic kidney diseases, but its therapeutic potential in acute kidney injury (AKI) and the underlying mechanisms remain largely unexplored. In this study, a simple and reliable LC-Q-TOF/MS method was developed to detect HKC metabolites in rat serum and urine. A metabolite–disease target network was constructed to predict the pharmacological activities of the serum metabolites, followed by PPI network analysis for hub target identification and GO/KEGG enrichment analyses. A total of 41 urine and 28 serum metabolites were identified. Network pharmacology analysis revealed 50 targets associated with 15 metabolites in the context of HKC treatment of AKI. AKT1 and its related pathways were predicted to serve as a central hub, and molecular docking analysis further predicted favorable binding affinity between AKT1 and all six screened key metabolites. This study established a practical approach for identifying HKC metabolites in vivo and provided a systematic framework for predicting the anti-AKI mechanism of HKC.

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血清和尿液代谢物分析结合网络药理学预测黄葵胶囊对急性肾损伤的肾保护机制。

黄葵胶囊（HKC），黄葵醇提物众所周知，梅迪士对慢性肾脏疾病具有肾保护作用，但其在急性肾损伤（AKI）中的治疗潜力及其潜在机制仍未被充分探索。本研究建立了一种简便可靠的LC-Q-TOF/MS检测大鼠血清和尿液中HKC代谢物的方法。构建代谢物-疾病靶点网络来预测血清代谢物的药理活性，然后通过PPI网络分析来鉴定中心靶点和GO/KEGG富集分析。共鉴定出41种尿液代谢物和28种血清代谢物。网络药理学分析显示，在HKC治疗AKI的背景下，与15种代谢物相关的50个靶点。预测AKT1及其相关通路作为中心枢纽，分子对接分析进一步预测AKT1与筛选的所有六种关键代谢物之间具有良好的结合亲和力。本研究建立了在体内鉴定HKC代谢物的实用方法，为预测HKC抗aki机制提供了系统框架。

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

Biomedical Chromatography 生物-分析化学

CiteScore

3.60

自引率

5.60%

发文量

268

审稿时长

2.3 months

期刊介绍： Biomedical Chromatography is devoted to the publication of original papers on the applications of chromatography and allied techniques in the biological and medical sciences. Research papers and review articles cover the methods and techniques relevant to the separation, identification and determination of substances in biochemistry, biotechnology, molecular biology, cell biology, clinical chemistry, pharmacology and related disciplines. These include the analysis of body fluids, cells and tissues, purification of biologically important compounds, pharmaco-kinetics and sequencing methods using HPLC, GC, HPLC-MS, TLC, paper chromatography, affinity chromatography, gel filtration, electrophoresis and related techniques.