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基于网络药理学方法探索草药治疗慢性乙型肝炎的机制

A Network Pharmacology Approach to Explore the Mechanisms of Herba for the Treatment of Chronic Hepatitis B.

作者信息

He Asi, Wang Wei, Xia Yang, Niu Xiaoping

机构信息

Department of Gastroenterology, Yijishan Hospital of Wannan Medical College, Wuhu 241000, China.

出版信息

Evid Based Complement Alternat Med. 2021 Feb 2;2021:6614039. doi: 10.1155/2021/6614039. eCollection 2021.

Abstract

BACKGROUND

As a traditional Chinese medicine, Herba (ASH) is used to treat various liver diseases. The purpose of this study was to explore the mechanisms of ASH for treating chronic hepatitis B (CHB) using a network pharmacological method.

METHODS

Bioactive ingredients and related targets of ASH were obtained from Traditional Chinese Medicine Systems Pharmacology (TCMSP) database. Gene names of targets were extracted from UniProt database. Differentially expressed genes (DEGs) of CHB were obtained from microarray dataset GSE83148. The intersect genes between DEGs and target genes were annotated using clusterProfiler package. The STRING database was used to obtain a network of protein-protein interactions. Cytoscape 3.7.2 was used to construct the "ingredient-gene-pathway" (IGP) network. Molecular docking studies were performed using Autodock vina.

RESULTS

A total of 13 active components were extracted from TCMSP database. Fifteen intersect genes were obtained between 183 target genes and 403 DEGs of GSE83148. Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analysis results showed that ASH against CHB mainly involved in toll-like receptor signaling pathway, cellular senescence, hepatitis B, and chemokine signaling pathway. We screened one hub compound, five core targets, and four key pathways from constructed networks. The docking results indicated the strong binding activity between quercetin and AKT1.

CONCLUSIONS

This study provides potential molecular mechanisms of ASH against CHB based on exploration of network pharmacology.

摘要

背景

作为一种传统中药,虎杖用于治疗各种肝脏疾病。本研究旨在采用网络药理学方法探索虎杖治疗慢性乙型肝炎(CHB)的机制。

方法

从中药系统药理学(TCMSP)数据库中获取虎杖的生物活性成分和相关靶点。从UniProt数据库中提取靶点的基因名称。从微阵列数据集GSE83148中获取CHB的差异表达基因(DEGs)。使用clusterProfiler软件包对DEGs和靶基因之间的交集基因进行注释。利用STRING数据库获得蛋白质-蛋白质相互作用网络。使用Cytoscape 3.7.2构建“成分-基因-通路”(IGP)网络。使用Autodock vina进行分子对接研究。

结果

从TCMSP数据库中总共提取了13种活性成分。在183个靶基因和GSE83148的403个DEGs之间获得了15个交集基因。京都基因与基因组百科全书(KEGG)富集分析结果表明,虎杖抗CHB主要涉及Toll样受体信号通路、细胞衰老、乙型肝炎和趋化因子信号通路。我们从构建的网络中筛选出一种核心化合物、五个核心靶点和四条关键通路。对接结果表明槲皮素与AKT1之间具有较强的结合活性。

结论

本研究通过网络药理学探索,提供了虎杖抗CHB的潜在分子机制。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/43a5/7875618/e6c9c7a824ad/ECAM2021-6614039.001.jpg

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