| 居晨浩,吴夏秋,郭清.基于网络药理学的清肺达原颗粒治疗新型冠状病毒肺炎多组分协同作用机制研究[J].浙江中医药大学学报,2020,44(9):845-857. |
| 基于网络药理学的清肺达原颗粒治疗新型冠状病毒肺炎多组分协同作用机制研究 |
| Multi-component Synergistic Mechanism of Qingfei Dayuan Granules in Treatment of COVID-19 Based on Network Pharmacology |
| DOI：10.16466/j.issn1005-5509.2020.09.004 |
| 中文关键词: 新型冠状病毒肺炎 清肺达原颗粒 网络药理学 芍药新苷 甘草酸 芍药二酮 |
| 英文关键词: corona virus disease 2019 Qingfei Dayuan Granules network pharmacology lactiflorin glycyrrhizic acid palbinone |
| 基金项目:国家自然科学基金项目(71774147) |
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| 中文摘要: |
| [目的]通过网络药理学的方法分析清肺达原颗粒(Qingfei Dayuan Granules，QFDYKL)治疗新型冠状病毒肺炎(corona virus disease 2019，COVID-19)的潜在机制。[方法]从中药系统药理学数据库与分析平台(Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform，TCMSP)、Pubchem、Uniprot等数据库中获取QFDYKL的活性成分和作用靶点，再对靶点基因进行基因本体(gene ontology，GO)与京都基因与基因组百科全书(Kyoto Encyclopedia of Genes and Genomes，KEGG)富集分析，将靶点导入String数据库，运用Cytoscape 3.7.0软件构建“成分-靶点”网络，分析并确定QFDYKL中的核心成分。绘制蛋白互作(protein-protein interaction，PPI)网络，并使用分子复合物检测(molecular complex detection，MCODE)确定功能模块与hub基因。[结果]共得到有效活性成分182个，相关的蛋白质靶点454个。网络拓扑分析结果显示，QFDYKL主要成分为芍药新苷(lactiflorin)、甘草酸(glycyrrhizic acid)、芍药二酮(palbinone)等；主要靶点为雌激素受体1(estrogen receptor 1，ESR1)、雄激素受体(androgen receptor，AR)、前列腺素内过氧化物合酶2(prostaglandin-endoperoxide synthase 2，PTGS2)等。KEGG通路主要涉及丝裂原活化蛋白激酶(mitogen-activated protein kinase，MAPK)、表皮生长因子受体(epidermal growth factor receptor，EGFR/ErbB)、肾素血管紧张素系统(renin angiotensin systems，RAS)、钙等信号通路，涉及炎症免疫、解热镇痛等方面。磷酸肌醇-3-激酶催化亚基α肽(phosphoinositide-3-kinase subunit α，PIK3CA)、淀粉样β蛋白前体(amyloid β precursor protein，APP)、90kDa热休克蛋白αA1(heat shock protein 90kDaαA1，HSP90AA1)等为QFDYKL发挥治疗作用的核心靶点。 [结论]QFDYKL中主要成分芍药新苷、甘草酸、芍药二酮等可能通过作用于PIK3CA、APP等核心靶点来调节炎症免疫、解热镇痛等过程，发挥治疗COVID-19的作用。 |
| 英文摘要: |
| [Objective]To analyse the potential mechanism of Qingfei Dayuan Granules(QFDYKL) in treating corona virus disease 2019(COVID-19) based on network pharmacology.[Methods]Obtain the active ingredients and targets of QFDYKL from Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP)， Pubchem， Uniprot and other databases， and perform gene ontology(GO) and Kyoto Encyclopedia of Genes and Genomes(KEGG) enrichment analysis on target genes.Then import the target into the String database， and then use Cytoscape 3.7.0 software for visualization and construct a "component-target" network， to analyze the core components of QFDYKL. Draw the protein-protein interaction(PPI) network， and use the molecular complex detection(MCODE) to determine the most important functional modules and the hub gene. [Results]A total of 182 active ingredients and 454 related protein targets were obtained. From the results of network topology analysis， the main components are lactiflorin，glycyrrhizic acid， palbinone and so on; the main targets were estrogen receptor 1(ESR1)， androgen receptor(AR)， prostaglandin-endoperoxide synthase 2(PTGS2) and so on. The KEGG pathway mainly involved the mitogen-activated protein kinase(MAPK)，epidermal growth factor receptor(EGFR/ErbB)， renin angiotensin systems(RAS)， calcium signaling pathway so on， involving inflammatory immunity， antipyretic and analgesic aspects. Phosphoinositide-3-kinase subunit α(PIK3CA)， amyloid β precursor protein(APP)， heat shock protein 90kDaαA1(HSP90AA1) are the core targets of therapeutic effect of QFDYKL.[Conclusion] The main components of lactiflorin， glycyrrhizic acid and palbinone in QFDYKL may act on core targets such as PIK3CA， App and so on to regulate inflammatory immunity， antipyretic and analgesic processes and play a role in the treatment of COVID-19. |
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