基于网络药理学对马鞭草-青蒿药干预新型冠状病毒肺炎的物质基础与作用机制研究  

A Study on Material Basis and Action Mechanism of Qinghao-Mabiancao in Treatment of COVID-19 Patients Based on Network Pharmacology

作　　者：蔡孟成 金永生 CAI Meng-cheng;JIN Yong-sheng(Basic Medicine School,Military Medical University of PLA Navy,Shanghai 200433,China;Pharmacy School,Military Medical University of PLA Navy,Shanghai 200433,China)

机构地区：[1]海军军医大学基础医学院,上海200433 [2]海军军医大学药学院,上海200433

出　　处：《解放军医药杂志》2020年第10期6-11,共6页Medical & Pharmaceutical Journal of Chinese People’s Liberation Army

基　　金：国家自然科学基金(81573585)。

摘　　要：目的应用网络药理学和生物信息学方法,探讨马鞭草-青蒿药干预新型冠状病毒肺炎的分子靶点及相关的可能途径。方法利用中药系统药理学数据库和分析平台检索马鞭草、青蒿的潜在入血活性成分和靶点。通过GeneCard数据库检索新型冠状病毒肺炎相关基因及靶点。利用STRING10.5软件构建马鞭草-青蒿组分靶点与新型冠状病毒肺炎靶点的蛋白质-蛋白质相互作用(PPI)网络。利用Bioconductor数据库进行GO与KEGG富集分析。结果根据口服生物利用度和类药性筛选出34种有效成分,从组分靶点与疾病靶点的交集中获得43个基因。这些基因主要参与细胞内脂多糖反应、氧化应激反应、对机械刺激的反应等生物学过程;分子功能主要为细胞因子结合、细胞因子活性、受体配体活性等;其在细胞质、细胞膜等部位富集,机制与细胞因子-细胞因子受体结合、HIF-1、NF-κB等信号通路有关。结论马鞭草-青蒿中的化合物可能通过抗病毒和抗炎作用对新型冠状病毒肺炎导致的感染、炎症以及肺损伤等产生潜在的预防和治疗作用。Objective To investigate molecular targets and associated potential pathways of Qinghao-Mabiancao in treatment of corona virus disease 2019(COVID-19)patients by network pharmacology and bioinformatics.Methods The potential blood-entry active ingredients and targets of Qinghao-Mabiancao were retrieved from Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform.Gene targets related to novel coronavirus(2019-nCoV)were retrieved from GeneCard databases.Protein-protein interaction network of Qinghao-Mabiancao component-targets and 2019-nCoV disease-targets was constructed by STRING.Enrichment analysis of Gene Ontology and Kyoto Encyclopedia of Genes was performed by using Bioconductor Databases.Results A total of 34 active ingredients were screened according to oral bioavailability(OB)and drug likeness(DL),and 43 genes were obtained from intersection of component-target and disease-target.These genes were mainly involved in biological processes such as intra-cellular lipopolysaccharide response,oxidative stress response and response to mechanical stimulus.Molecular functions were mainly related to combination of cytokine receptor,cytokine activity,receptor ligand activity and so on.They were enriched in regions such as cytoplasm and cell membrane,and the mechanism was related to cytokine-cytokine receptor interaction and signaling pathways such as HIF-1 and NF-kappa B.Conclusion Mabiancao-Qinghao compounds may be having potential effects on prevention and treatment on infection,inflammation and lung injury induced by 2019-nCoV by antiviral and anti-inflammatory effects.

关 键 词：新型冠状病毒肺炎 马鞭草 青蒿 槲皮素 木樨草素 

分 类 号：R563.12[医药卫生—呼吸系统]