基于缺氧诱导因子1信号通路治疗新型冠状病毒肺炎的潜在中药筛选及其机制研究  

Screening Potential Chinese Herbal Medicines and Mechanism for COVID-19 Based on Network Pharmacology and HIF-1 Signaling Pathway

作　　者：杨洋 刘毓菲 黄青松[1] 高培阳[2] 张传涛[1] 陈梅 杨洪静 王武军[1] 肖玮[1] Yang Yang;Liu Yufei;Huang Qingsong;Gao Peiyang;Zhang Chuantao;Chen Mei;Yang Hongjing;Wang Wujun;Xiao Wei(Department of Respiratory Medicine,Hospital of Chengdu University of Traditional Chinese Medicine,Chengdu,610072,China;Department of Intensive Care Medicine,Hospital of Chengdu University of Traditional Chinese Medicine,Chengdu,610072,China;Department of Respiratory Medicine,Chengdu Fifth People’s Hospital,Chengdu,611130,China)

机构地区：[1]成都中医药大学附属医院呼吸科,四川成都610072 [2]成都中医药大学附属医院重症医学科,四川成都610072 [3]成都市第五人民医院呼吸科,四川成都611130

出　　处：《成都中医药大学学报》2022年第2期10-16,共7页Journal of Chengdu University of Traditional Chinese Medicine

基　　金：四川省科技计划(2020JDRC0114,2020YFH0164);成都中医药大学“杏林学者”人才提升计划(XSGG2019016,XGZX2003,JSZX005);成都中医药大学附属医院“百人计划”人才项目(院办发[2020]42);全国中医药创新骨干人才培训项目(国中医药办人教函〔2019〕128号);成都中医药大学附属医院科技发展基金(19SX01,19YY10,19LW11,18ZL05);成都市科技局资助项目(2020-YF05-00139-SN)。

摘　　要：目的:根据缺氧诱导因子1(Hypoxia Inducible Factor-1,HIF-1)信号通路预测治疗新型冠状病毒肺炎(Corona Virus Disease 2019,COVID-19)的潜在活性成分和中药。方法:通过京都基因与基因组百科全书(Kyoto Encyclopedia of Genes and Genomes,KEGG)数据库、人类基因的综合数据库(GeneCards Database)搜集HIF-1信号通路的相关基因,利用基因间功能关联关系搜索工具(Search Tool for Recurring Instances of Neighbouring Genes,STRING)数据库和Cytoscape软件构建蛋白质-蛋白质相互作用(Protein Protein Interaction,PPI)网络并筛选核心基因,然后在中药系统药理学数据库及分析平台(Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform,TCMSP)检索潜在治疗活性成分和中药,并构建基因-活性成分-中药网络,最后进行分子对接验证结合活性。结果:通过HIF-1信号通路中核心基因共预测出233个活性成分,439种中药。构建的基因-活性成分-中药网络中度值(Degree)最高的活性成和中药分别为槲皮素、山奈酚、木犀草素和余甘子、白果、枇杷叶、红花、苦参。分子对接结果均显示有较好的结合活性。结论:本研究通过网络药理学的方法根据HIF-1信号通路初步预测筛选了潜在的治疗活性成分及中药,为进一步探索COVID-19的治疗药物提供了理论依据。Objective:To predict the potential active ingredients and traditional Chinese medicines for the treatment of Corona Virus Disease 2019(COVID-19)based on HIF-1(Hypoxia Inducible Factor-1)signaling pathway.Methods:The genes related to HIF-1 signaling pathway were collected through KEGG(Kyoto Encyclopedia of Genes and Genomes)database and GeneCars database.The STRING(Search Tool for Recurring Instances of Neighbouring Genes)database and Cytoscape software were used to construct PPI(Protein Protein Interaction)network and screen the core genes.Then,the potential therapeutic active ingredients and Chinese medicine were retrieved from TCMSP(Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform),and the gene-active ingredients-Chinese medicine network was constructed.Finally,molecular docking was performed to verify the binding activity.Results:A total of 233 active components and 439 kinds of traditional Chinese medicine were predicted by the core targets of HIF-1 signaling pathway.In the gene-active component-traditional Chinese medicine network,the highest Degree of active ingredient were quercetin,kaempferol and luteolin,the highest Degree of traditional Chinese medicinerespectively were Phyllanthi Fructus,Ginkgo Semen,Eriobotryae Folium,Carthami Flos and Sophorae Flavescentis Radix.The results of molecular docking showed good binding activity.Conclusion:In this study,potential therapeutic active ingredients and traditional Chinese medicine were screened based on the preliminary prediction of HIF-1 signaling pathway by network pharmacology method,providing a theoretical basis for further exploration of COVID-19 therapeutic drugs.

关 键 词：新型冠状病毒肺炎 缺氧诱导因子1信号通路 网络药理学 分子对接 

分 类 号：R254[医药卫生—中医内科学] R282[医药卫生—中医学]