基于血清药理、基因表达谱和网络药理学探索丹参治疗溃疡性结肠炎的潜在机制:调控细胞凋亡和炎症反应。

Run-Xiang Zhai, Meng-Yu Wang, Hai-Tao Du, Chun-Xiao Yan, Zi-Wei Li, Kuo Xu, Hui Li, Xian-Jun Fu, Xia Ren
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引用次数: 0

摘要

背景丹参是一种传统中药,对治疗溃疡性结肠炎(UC)具有潜在疗效。然而,其生物活性成分和作用模式尚不清楚:本文采用网络药理学、血清药物化学和基因表达谱分析相结合的方法,阐明其可能的分子作用机制和物质基础:方法:采用超高效液相色谱-质谱联用技术(UPLC-MS)分析丹参治疗小鼠血清中的中药成分和代谢产物。应用基因表达谱构建了丹参作用靶点数据库。然后,构建了有效成分-靶标-生物功能模块网络来分析其作用机制。分子对接进一步证实了其成分与靶点作用的可能性:结果:1684个丹参相关DEGs和1492个UC靶点中的193个共同靶点被确定为丹参治疗UC的潜在靶点。血清药理和靶点预测显示,血清中的 22 种成分作用于 777 个靶点。与常见靶点的交叉产生了 46 个核心靶点,并构建了活性成分-靶点-生物功能模块网络进行分析。网络预测和分子对接结果显示,主要作用模块为炎症反应和细胞凋亡,主要作用靶点为SRC、RELA、HSP90AA1、CTNNB1、STAT3和CASP3。据预测,丹参干预UC的主要成分包括儿茶酚、3,9-二甲氧基紫檀素、8-异戊烯基柚子苷、异阿魏酸、丹参酚酸C和丹参素:本研究为进一步阐明丹参抗 UC 的机制提供了科学依据。
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Exploring the Potential Mechanisms of Danshen for the Treatment of Ulcerative Colitis based on Serum Pharmacochemistry, Gene Expression Profiling, and Network Pharmacology: Regulation of Cell Apoptosis and Inflammatory Response.

Background: As a traditional Chinese medicine, Danshen shows potential efficacy for treating ulcerative colitis (UC). However, the bioactive components and mode of action were unclear.

Aim of this study: This paper uses a combination of network pharmacology, serum medicinal chemistry, and gene expression profiling to clarify its possible molecular mechanism of action and material basis.

Methods: Ultra-high performance liquid chromatography-mass spectrometry (UPLC-MS) was utilized to analyze the herbal components and metabolites from the serum of Danshen-treated mice. Gene expression profiles were applied to construct a database of Danshen action targets. Then, active ingredient-target-biological functional module networks were constructed to analyze the mechanism of action. Molecular docking has further confirmed the possibility of its components to the targets.

Results: As a result, 193 common targets between 1684 Danshen-related DEGs and 1492 UC targets were determined as the potential targets for Danshen in treatment with UC. Serum pharmacochemistry and target prediction showed that 22 components in serum acted on 777 targets. Intersection with common targets yielded 46 core targets, and an active ingredienttarget- biological functional module network was constructed for analysis. Network prediction and molecular docking results showed that the main action modules were inflammatory response and cell apoptosis, which mainly acted on targets SRC, RELA, HSP90AA1, CTNNB1, STAT3, and CASP3. The main components of Danshen intervention in UC were predicted to include Catechol, 3,9-Dimethoxypterocarpan, 8-Prenylnaringenin, Isoferulic acid, Salvianolic acid C, and Danshensu.

Conclusion: The present study provides a scientific foundation for further explicating the mechanisms of Danshen against UC.

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