Exploring the Active Ingredients and Core Targets of Erxia Decoction in the Treatment of Sleep Disorder by Integration of Network Pharmacology and Proteomics.

IF 1.6 4区医学 Q4 BIOCHEMICAL RESEARCH METHODS

Combinatorial chemistry & high throughput screening Pub Date : 2025-04-29 DOI:10.2174/0113862073348555250320035548

Bo Jiang, Huiran Yang, Fei Zhou, Huijun Qu, Xueqian Hu, Zhanwen Liu

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引用次数: 0

Abstract

Aims: For clarifying the "multi genes and multi targets" characteristic of the treatment of Erxia Decoction (EXD), the aim of this study was to employ network pharmacology technology to perform cluster analysis on selected EXD targets.

Background: EXD, a famous Chinese herbal prescription, consisting of Pinelliae Rhizoma (PR) and Prunellae Spica (PS), was mainly used to treat sleep disorder (SLD).

Objective: Using network pharmacology combined with proteomics to find out the main active components and core targets of EXD in the treatment of SLD.

Method: By constructing the network of drug-component-target, the key protein targets of EXD for the treatment of SLD were screened. Then the interaction of the main active components of EXD and predicted candidate targets were verified. Then the proteomic analysis was used to screen the core targets in BV2 cells treated with EXD or the chemical ingredients, and the expression level was validated by Western blotting. Finally, molecular docking was used to further evaluate the mechanism of the action of the main ingredients and the core targets.

Result: The 24 components of EXD mainly participate in the SLD treatment process by acting on 15 important key genes, and the core signal pathways were identified in the process of the action of EXD in treating SLD. Four key ingredients and five core targets were revealed from the results of network pharmacological analysis combination with proteomics, and then the AKT1 protein as a key target was validated by PCR and Western blotting.

Conclusion: This study preliminarily revealed EXD, morin (MOR) and quercetin (QUE) mainly inhibited the AKT1 core targets for the treatment of SLD using the network pharmacological analysis, proteomics, Western blotting, and molecular docking. The results elucidated partly the molecular mechanism and provided clues and a basis for further research.

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网络药理学与蛋白质组学相结合探讨二夏汤治疗睡眠障碍的有效成分及核心靶点。

目的：为明确二夏汤治疗的“多基因、多靶点”特点，采用网络药理学技术对选定的二夏汤靶点进行聚类分析。背景：EXD是由半夏（Pinelliae Rhizoma， PR）和夏枯草（Prunellae Spica， PS）组成的著名中草药，主要用于治疗睡眠障碍（SLD）。目的：利用网络药理学与蛋白质组学相结合的方法，找出EXD治疗SLD的主要活性成分和核心靶点。方法：通过构建药物组分-靶点网络，筛选EXD治疗SLD的关键蛋白靶点。然后验证了EXD主要活性成分与预测候选靶点的相互作用。然后通过蛋白质组学分析筛选EXD或化学成分处理的BV2细胞中的核心靶点，并通过Western blotting验证其表达水平。最后通过分子对接进一步评价其主要成分与核心靶点的作用机理。结果：EXD的24个组分主要通过作用于15个重要的关键基因参与SLD的治疗过程，确定了EXD作用于SLD治疗过程中的核心信号通路。结合蛋白质组学的网络药理学分析结果揭示了4个关键成分和5个核心靶点，并通过PCR和Western blotting验证了AKT1蛋白作为关键靶点。结论：本研究通过网络药理学分析、蛋白质组学、Western blotting、分子对接等手段初步揭示EXD、morin （MOR）、quercetin （QUE）主要抑制AKT1核心靶点治疗SLD。研究结果部分阐明了其分子机制，为进一步研究提供了线索和基础。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Combinatorial chemistry & high throughput screening 化学-生化研究方法

CiteScore

3.10

自引率

5.60%

发文量

327

审稿时长

7.5 months

期刊介绍： Combinatorial Chemistry & High Throughput Screening (CCHTS) publishes full length original research articles and reviews/mini-reviews dealing with various topics related to chemical biology (High Throughput Screening, Combinatorial Chemistry, Chemoinformatics, Laboratory Automation and Compound management) in advancing drug discovery research. Original research articles and reviews in the following areas are of special interest to the readers of this journal: Target identification and validation Assay design, development, miniaturization and comparison High throughput/high content/in silico screening and associated technologies Label-free detection technologies and applications Stem cell technologies Biomarkers ADMET/PK/PD methodologies and screening Probe discovery and development, hit to lead optimization Combinatorial chemistry (e.g. small molecules, peptide, nucleic acid or phage display libraries) Chemical library design and chemical diversity Chemo/bio-informatics, data mining Compound management Pharmacognosy Natural Products Research (Chemistry, Biology and Pharmacology of Natural Products) Natural Product Analytical Studies Bipharmaceutical studies of Natural products Drug repurposing Data management and statistical analysis Laboratory automation, robotics, microfluidics, signal detection technologies Current & Future Institutional Research Profile Technology transfer, legal and licensing issues Patents.