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连翘治疗痤疮的网络药理学作用机制

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目的:运用网络药理学及分子对接技术探讨连翘治疗痤疮的作用机制.方法:利用GeneCards、OMIM和NCBI数据库收集相关的痤疮靶点,并通过中药系统药理数据库与分析平台(TCMSP)检索连翘的有效成分.利用Swiss Target Prediction数据库获取连翘活性成分的靶点.将痤疮相关靶点与连翘活性成分靶点取交集即为连翘治疗痤疮的潜在靶点,利用STRING数据库构建靶点的蛋白质-蛋白质相互作用网络,并将结果导入Cytoscape 3.7.1软件进行拓扑分析,提取核心靶点.运用DAVID数据库对核心靶点进行GO功能富集分析和KEGG通路富集分析,构建"活性成分-核心靶点-通路"网络,并进行拓扑分析,筛选得到核心成分和核心靶点.通过AutoDock Vina进行分子对接,验证核心成分和核心靶点的相互作用.结果:共获得连翘活性成分19个,对应靶点509个、疾病靶点1 561个、共有靶点89个,经过蛋白质-蛋白质相互作用分析及拓扑分析,得到核心靶点16个,核心靶点涉及681个基因功能条目和160条通路(P<0.05).对"活性成分-核心靶点-通路"网络图进行拓扑分析,共筛选出槲皮素、木犀草素、汉黄芩素及山柰酚等16个活性成分,以及前列腺素氧化环化酶2(Prostaglandin-endoperoxide Synthase 2,PTGS2)、RELA癌基因(RELA Proto-oncogene,RELA)、肿瘤坏死因子(Tumor Necrosis Factor,TNF)、过氧化物酶体增殖物激活受体γ(Peroxisome Proliferator Activated Receptor Gamma,PPARG)、白细胞介素-6(Interleukin-6,IL-6)、JUN原癌基因(Jun Proto-oncogene,JUN)、C-X-C基序趋化因子配体8(C-X-C Motif Chemokine Ligand 8,CXCL8)等16个关键靶点.结论:连翘治疗痤疮具有多成分、多靶点和多通路的作用特点,连翘活性成分可能通过调节PTGS2、RELA、TNF、PPARG、IL-6、JUN、CXCL8等蛋白的表达实现治疗痤疮的作用.
The network pharmacological mechanism of Lianqiao in treating acne
Objective:To investigate the mechanism of action of Lianqiao(Fructus Forsythiae)in the treatment of acne by network pharmacology and molecular docking techniques.Methods:Relevant acne targets were collected from GeneCards,OMIM and NCBI databases,and the active ingredients of Lianqiao were retrieved through the Traditional Chinese Medicine Systematic Pharmacology Database and Analysis Platform(TCMSP).The Swiss Target Prediction database was used to obtain the targets of the active ingredients of Lianqiao.The intersection of acne-related targets with the targets of active ingredients of Lianqiao was taken as the potential targets for the treatment of acne.The protein-protein interaction network of the targets was constructed using the STRING database,and the results were imported into Cytoscape 3.7.1 software for topological analysis to extract the core targets.GO functional enrichment analysis and KEGG pathway enrichment analysis were performed on the core targets using the DAVID database to construct the active ingredient-core target-pathway network,and topology analysis was performed to screen the core ingredients and core targets.The interactions of core components and core targets were verified by molecular docking using AutoDock Vina.Results:A total of 19 active ingredients of Lianqiao were obtained,corresponding to 509 targets,1 561 disease targets,and 89 intersection targets.After protein-protein interaction and topological analyses,16 core targets were obtained,and the core targets involved 681 gene function entries and 160 pathways(P<0.05).The network of active ingredient-core target-pathway was topologically analyzed,and 16 active ingredients including quercetin,lignan,baicalein and kaempferol,and 16 key targets including PTGS2,RELA,TNF,PPARG,IL-6,JUN and CXCL8 were screened out.Conclusion:Lianqiao shows the characteristics of multi-components,multi-targets and multi-pathways in the treatment of acne,and the active ingredients of Lianqiao may regulate the expression of PTGS2,RELA,TNF,PPARG,IL-6,JUN,CXCL8 and other proteins to achieve the therapeutic effect.

LianqiaoAcneNetwork pharmacologyMolecular dockingMechanism of action

刘诗萌、刘彬

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辽宁中医药大学,辽宁 沈阳,110847

辽宁中医药大学附属医院,辽宁 沈阳,110032

连翘 痤疮 网络药理学 分子对接 作用机制

2024

中医临床研究
中华中医药学会

中医临床研究

影响因子:0.839
ISSN:1674-7860
年,卷(期):2024.16(10)
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