基于网络药理学探究痤疮合剂治疗痤疮作用机制  

Study on the Mechanism of Acne Mixture Treating Acne Based on Network Pharmacology

作　　者：江琴 张小卿[1] 吴景东 JIANG Qin;ZHANG Xiaoqing;WU Jingdong(Liaoning University of Traditional Chinese Medicine,Shenyang 110847,Liaoning,China;The Second Affiliated Hospital of Liaoning University of Traditional Chinese Medicine,Shenyang 110034,Liaoning,China)

机构地区：[1]辽宁中医药大学,辽宁沈阳110847 [2]辽宁中医药大学附属第二医院,辽宁沈阳110034

出　　处：《实用中医内科杂志》2022年第3期30-34,I0004-I0008,共10页Journal of Practical Traditional Chinese Internal Medicine

基　　金：辽宁省自然科技基金(201602497)。

摘　　要：目的基于网络药理学技术探索痤疮合剂治疗痤疮的作用机制。方法依托中药系统药理学数据库(TCMSP)和中药分子机制的生物信息学分析工具(BATMAN-TCM)筛选痤疮合剂的活性化合物和作用靶点;通过人类基因信息数据库(GeneCards)检索痤疮的疾病靶点;应用Cytoscape软件构建药物活性化合物-疾病-靶点互作网络;运用STRING平台搭建蛋白质间相互作用网络(PPI);利用DAVID数据库预测靶点的基因本体(GO)基因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Autodock vina 1.1.2软件进行活性成分与核心靶点之间的分子对接。结果筛选得槲皮素、山柰酚、β-谷甾醇、豆甾醇等176个化合物,主要涉及白细胞介素-6(IL-6),血管内皮生长因子A(VEGFA)等56个核心靶点,通过癌症信号通路(Pathways in cancer)、肿瘤坏死因子信号通路(TNF signaling pathway)、低氧诱导性因子1信号通路(HIF-1 signaling pathway)等通路发挥治疗作用。结论基于网络药理学的方法,该研究初步探究了痤疮合剂治疗痤疮的核心靶点与通路,体现了中药多成分、多靶点治疗疾病的特点,为中医的现代化研究提供一定的科学思路。Objective To explore the mechanism of acne treatment with acne mixture based on network pharmacology.Methods Using the database of systemic pharmacology of Traditional Chinese medicine(TCMSP)and bioinformatics analysis tool of traditional Chinese medicine(Batmn-TCM),the active compounds and targets of acne mixture were screened.Retrieval of disease targets for acne through the Human Genetic Information database(GeneCards);Cytoscape software was used to construct drug active compound-disease-target interaction network.STRING platform was used to build protein-protein interaction network(PPI).The gene ontology(GO)gene function enrichment analysis and the Kyoto Encyclopedia of Genes and Genomics(KEGG)pathway enrichment analysis were used to predict the target using DAVID database.Molecular docking between the active ingredient and the core target was performed using Autodock vina 1.1.2 software.Results screening of quercetin,galangal,beta sitosterol,stigmasterol and 176 compounds,mainly involving the interleukin-6(IL-6),vascular endothelial growth factor A(VEGFA)core targets,such as 56 by cancer signaling Pathways(Pathways in cancer),tumor necrosis factor signaling Pathways(TNF signaling pathway)signaling Pathways and hypoxia inducible factor 1(HIF-1 signaling pathway)Pathways play A role of treatment.Conclusion Based on the method of network pharmacology,this study preliminarily explored the core target and pathway of acne mixture in the treatment of acne,reflected the characteristics of multi-component and multi-target treatment of diseases in Traditional Chinese medicine,and provided certain scientific thinking for the modernization of traditional Chinese medicine research.

关 键 词：网络药理学 痤疮 痤疮合剂 枇杷清肺饮 蛋白互作 富集分析 分子对接 槲皮素 

分 类 号：R758.73[医药卫生—皮肤病学与性病学]