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基于网络药理学和分子对接技术探讨苦参复方治疗溃疡性结肠炎的作用机制。

Mechanisms of Compound (Kushen) Decoction for the Treatment of Ulcerative Colitis based on Network Pharmacology and Molecular Docking Technology.

机构信息

Department of Pharmacy, The Sixth Affiliated Hospital, Sun Yat-sen University, Guangzhou, Guangdong, China.

School of Pharmacy, Guangdong Medical University, Dongguan, Guangdong, China.

出版信息

Curr Comput Aided Drug Des. 2022;18(3):228-239. doi: 10.2174/1573409918666220406103708.

DOI:10.2174/1573409918666220406103708
PMID:35388762
Abstract

BACKGROUND

The compound Sophora flavescenes (Kushen) decoction was found to reduce the inflammatory symptom of Ulcerative Colitis (UC). However, there exists a very limited understanding of the molecular pharmacological mechanisms.

OBJECTIVE

This study aimed to explore the mechanism of compound Sophora flavescens (Kushen) decoction in treating ulcerative colitis from the perspective of network pharmacology.

METHODS

Active components and potential targets of compound Sophora flavescens (Kushen) decoction were obtained through the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (TCMSP) database. GeneCards and other databases were used to predict and screen ulcerative colitis-related genes. Cytoscape software was applied to construct the "drugactive component-disease-target" network. GO function and KEGG pathway enrichment analyses revealed the potential pathway of the compound Sophora flavescenes (Kushen) decoction for UC.

RESULTS

After the screening, a total of 124 active ingredients and 163 potential therapeutic targets for UC were obtained from the compound Sophora flavescens (Kushen) decoction. Protein interaction network analysis showed that 15 key targets could be identified for the possible treatment of UC. GO and KEGG analyses showed that the active ingredients in the compound Sophora flavescens (Kushen) decoction were mainly enriched in 2556 biological processes and 172 signaling pathways.

CONCLUSION

The study showed that the compound Sophora flavescens (Kushen) decoction has therapeutic effects on UC through multi-component, multi-target, and multi-pathway.

摘要

背景

苦参复方汤剂被发现可减轻溃疡性结肠炎(UC)的炎症症状。然而,对于其分子药理学机制的理解非常有限。

目的

本研究旨在从网络药理学的角度探讨苦参复方治疗溃疡性结肠炎的机制。

方法

通过中药系统药理学数据库和分析平台(TCMSP)数据库获取苦参复方的活性成分和潜在靶点。利用 GeneCards 等数据库预测和筛选溃疡性结肠炎相关基因。使用 Cytoscape 软件构建“药物-活性成分-疾病-靶点”网络。GO 功能和 KEGG 通路富集分析揭示了苦参复方治疗 UC 的潜在通路。

结果

经过筛选,从苦参复方中获得了 124 种活性成分和 163 个潜在的 UC 治疗靶点。蛋白质相互作用网络分析显示,有 15 个关键靶点可能用于 UC 的治疗。GO 和 KEGG 分析表明,苦参复方中的活性成分主要富集在 2556 个生物学过程和 172 个信号通路中。

结论

该研究表明,苦参复方通过多成分、多靶点、多途径对 UC 具有治疗作用。

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