Mechanism of Jingfang Granules in the Treatment of Urticaria Based on Network Pharmacology

CAO Xiaoyu; HUANG Jiaqi; CHEN Meilin; WANG Penglong; WANG Miaomiao; HAN Aiqing; YANG Enhua; GONG Wenqiao; WU Jiarui

doi:10.14009/j.issn.1672-2124.2022.09.002

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Mechanism of Jingfang Granules in the Treatment of Urticaria Based on Network Pharmacology

更新时间：2023-04-16

- Mechanism of Jingfang Granules in the Treatment of Urticaria Based on Network Pharmacology
- Vol. 22, Issue 9, Pages: 1029-1035(2022)
- 作者机构：
  
  1. 北京中医药大学中药学院
  2. 北京中医药大学管理学院
  3. 鲁南制药集团股份有限公司医学部
- 作者简介：
- 基金信息：
- DOI：10.14009/j.issn.1672-2124.2022.09.002
  CLC： R285
- Published：2022，
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CAO Xiaoyu, HUANG Jiaqi, CHEN Meilin, et al. Mechanism of Jingfang Granules in the Treatment of Urticaria Based on Network Pharmacology. [J]. 22(9):1029-1035(2022)
DOI：

CAO Xiaoyu, HUANG Jiaqi, CHEN Meilin, et al. Mechanism of Jingfang Granules in the Treatment of Urticaria Based on Network Pharmacology. [J]. 22(9):1029-1035(2022) DOI： 10.14009/j.issn.1672-2124.2022.09.002.

摘要

目的：基于网络药理学方法探讨荆防颗粒对荨麻疹的作用机制。方法：通过中药系统药理学数据库与分析平台、Uniprot、人类孟德尔遗传综合数据库、DrugBank和GeneCards等数据库，获取荆防颗粒中的活性成分、核心靶点以及荨麻疹的疾病靶点。运用STRING平台进行蛋白质-蛋白质相互作用(PPI)网络分析。应用Cytoscape 3.7.2软件构建药物-成分-靶点网络、疾病-靶点网络以及PPI网络。使用R x64 4.1.1软件进行基因本体(GO)功能富集分析和京都基因与基因组百科全书(KEGG)通路富集分析。通过AutoDockTools对核心靶点和重要化合物进行分子对接验证。结果：得到荆防颗粒活性化合物187个，化合物预测靶点261个，疾病靶点556个，交集靶点75个。PPI网络分析结果显示，荆防颗粒治疗荨麻疹的关键基因有基质金属蛋白酶9(MMP9)、前列腺素内过氧化物合酶2(PTGS2)、蛋白激酶B1(Akt1)、肿瘤坏死因子、胱天蛋白酶3和血管内皮生长因子A(VEGFA)。富集分析获得1 391个GO条目，211条KEGG信号通路，包括磷脂酰肌醇3激酶-蛋白激酶B信号通路、人类巨细胞病毒感染和糖尿病并发症中的晚期糖基化终末产物(AGE)-AGE受体信号通路等。分子对接结果表明，槲皮素与MMP9、VEGFA

乙酸亚油醇酯与PTGS2

山柰酚与Akt1有较强的结合活性。结论：荆防颗粒是基于多成分、多靶点、多通路的特点相互协同治疗荨麻疹，为进一步的实验研究提供了理论依据。

Abstract

OBJECTIVE: To probe into the mechanism of Jingfang granules in the treatment of urticaria based on network pharmacology. METHODS: Traditional Chinese medicine systems pharmacology database and analysis platform（TCMSP）

Uniprot

Online Mendelian Inheritance in Man

DrugBank and GeneCards database were retrieved to obtain the active components

core targets and disease targets of urticaria in Jingfang granules. STRING platform was used to analyze the protein-protein interaction（PPI） network. Cytoscape 3.7.2 was used to construct drug-component-target network

disease-target network and PPI network. Gene ontology（GO） functional enrichment analysis and Kyoto encyclopedia of genes and genomes（KEGG） pathway enrichment analysis were performed by using R x64 4.1.1. Core targets and important compounds were validated by AutoDockTools for molecular docking. RESULTS: A total of 187 active compounds

261 predicted targets

556 disease targets and 75 intersection targets of Jingfang granules were obtained. PPI network analysis showed that matrix metalloproteinase 9（MMP9）

prostaglandin endoperoxidase synthase 2（PTGS2）

protein kinase B1（Akt1）

tumor necrosis factor

caspase 3 and vascular endothelial growth factor A（VEGFA） were the key genes of Jingjiang granules in the treatment of urticaria. Enrichment analysis results obtained 1 391 GO items and 211 KEGG signaling pathways

including phosphatidylinositol 3-kinase-protein kinase B signaling pathway

advanced glycosylation end products（AGE）-AGE receptor signaling pathway in human cytomegalovirus infection and diabetes complications. Results of molecular docking showed that quercetin was associated with MMP9 and VEGFA

linoleyl acetate and PTGS2

kaempferol and Akt1 had strong binding activity. CONCLUSIONS: Jingfang granules in the treatment of urticaria is based on the characteristics of multi-component

multi-target and multi-pathway

which provides a theoretical basis for further experimental research.

关键词

荆防颗粒荨麻疹网络药理学分子对接

Keywords

Jingfang granulesUrticariaNetwork pharmacologyMolecular docking

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