首页|基于网络药理学和分子对接技术探究马齿苋抑制猪炎症反应的作用机制

基于网络药理学和分子对接技术探究马齿苋抑制猪炎症反应的作用机制

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采用网络药理学和分子对接等技术,挖掘马齿苋抑制猪炎症反应的主要活性成分及关键靶点,探究其可能的作用机制.在中药系统药理学数据库与分析平台和Uniprot(Universal protein)中筛选马齿苋有效成分及靶点,通过GeneCards和疾病靶点数据库,获得炎症相关的靶点;利用Venn网站将马齿苋相关靶点与炎症相关靶点进行映射来构建韦恩图,得到马齿苋抗猪炎症的预测靶点.结合String数据库和Cytoscape软件对预测靶点进一步筛选,获取关键靶点后对其进行GO功能富集分析和KEGG通路富集分析,选取排名靠前的关键靶点和活性成分开展分子对接分析.结果表明:筛选得到β-谷甾醇、山柰酚和木犀草素等马齿苋的10个潜在药效成分;马齿苋发挥抗炎作用的核心靶点包括TNF、ALB和TP53等共90个,可参与细胞迁移的正调控、炎症反应、细菌源分子的反应等生物过程,涉及癌症、疟疾、MAPK等信号通路.该研究揭示了马齿苋多成分、多靶点、多途径抑制猪炎症反应的作用机制,为其在实际畜牧养殖中治疗由炎症反应所导致的猪腹泻性相关疾病的具体机制提供理论依据.
Exploring the mechanism of Portulaca oleracea inhibiting inflammatory response in pigs based on network pharmacology and molecular docking techniques
Using such technologies as network pharmacology and molecular docking,the study explored the main active components and key targets of portulaca oleracea in inhibiting pig inflammatory response,and investigated its mechanism of action.Traditional Chinese Medicine System Pharmacology Database and Analysis Platform and Uniprot(Universal Protein)were used to screen the active components of portulaca oleracea and their action targets.The GeneCards and Therapeutic Target Database were used to obtain inflammation-related targets.Using the website of Venn,the study constructed a Venn diagram by mapping portulaca oleracea-related targets and inflammation-related targets,obtaining the predicted targets of portulaca oleracea inhibiting inflammation in pigs.The predicted targets were further screened by the database of String and the software of Cytoscape.After the key targets were obtained,GO functional enrichment analysis and KEGG pathway enrichment analysis were carried out,and the top-ranked key targets and active ingredients were finally selected to conduct molecular docking studies.The results show that a total of 10 potential pharmacological components,such as β-sitosterol,kaempferol and lignans,are obtained.portulaca oleracea exerts anti-inflammatory effects through 90 core targets including TNF,ALB and TP53.These targets participate in many biological processes such as positive regulation of cell migration,inflammatory response,and the response of molecules of bacterial origin,and are involved in the signaling pathways,such as cancer,malaria,and MAPK.This study reveals the mechanism of action of portulaca oleracea as a multi-component,multi-target and multi-pathway inhibitor of porcine inflammatory response,and provides a theoretical basis for its specific mechanism of treating porcine diarrhea-related diseases caused by inflammatory response in actual animal husbandry.

network pharmacologyportulaca oleraceapiginflammationmolecular docking

谢婕妤、吴昕怡、罗瑞昌、吕正兵、王丹

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浙江理工大学生命科学与医药学院,杭州 310018

浙江理工大学浙江省家蚕生物反应器和生物医药重点实验室,杭州 310018

网络药理学 马齿苋 炎症 分子对接

浙江大学生科技创新活动计划暨新苗人才计划

团委[2023]5号

2024

浙江理工大学学报
浙江理工大学

浙江理工大学学报

影响因子:0.311
ISSN:1673-3851
年,卷(期):2024.51(7)
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