基于网络药理学探析疏风解毒胶囊治疗新型冠状病毒肺炎分子机制研究

Study on the Molecular Mechanism of Shufeng Jiedu Capsules in Treatment for COVID-19 Based on Network Pharmacology

目的基于网络药理学探析疏风解毒胶囊治疗新型冠状病毒肺炎(corona virus disease,COVID-19)的潜在分子机制。方法通过检索中药药理学分析平台(Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform,TCMSP)数据库查找筛选疏风解毒胶囊的化学活性成分,并运用PubChem数据库预测疏风解毒胶囊人类靶蛋白。利用GeneCards数据库获取并筛选COVID-19人类基因,数据导入生物通路分析(Ingenuity Pathway Analysis,IPA)软件,比较疏风解毒胶囊靶蛋白和COVID-19人类基因之间相同的分子网络、生物学通路及位点,预测药物作用机制。结果通过GeneCards数据库获取COVID-19相关基因546个,TCMSP数据库筛选得到101个类药性良好的活性成分,PubChem数据库对应预测出靶蛋白102个。经过IPA分析发现,疏风解毒胶囊与COVID-19共有的生物学通路有331条,多数集中在炎症、免疫以及细胞增殖、凋亡和迁移的相关通路。作用于趋化因子受体1(chemokine receptor 1,CXCR1)、表皮生长因子受体(epidermal growth factor receptor,EGFR)、基质金属蛋白酶-2(matrix metalloproteinase 2,MMP2)、基质金属蛋白酶-9(matrix metalloproteinase 9,MMP9)、磷脂酰肌醇3-激酶(phosphatidylinositol 3-kinase,PI3K)及蛋白激酶B(protein kinase B,PKB/AKT)等位点。结论疏风解毒胶囊可能通过与炎症、免疫反应以及细胞增殖、凋亡和迁移等相关生物通路治疗COVID-19,其作用机制可能与趋化免疫细胞、激活多种炎性因子的表达以及抑制病毒等方面有关。

Objective To explore the potential molecular mechanism of Shufeng Jiedu Capsules in treatment for corona virus disease(COVID-19) based on network pharmacology. Methods Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP) was retrieved to obtain and screen chemically active components of Shufeng Jiedu Capsules, and the PubChem database was applied to predict human target proteins of Shufeng Jiedu Capsules. The GeneCards database was used to obtain and screen COVID-19-related human genes. The data were imported into Ingenuity Pathway Analysis(IPA) software to compare the same molecular networks, biological pathways and sites between the target proteins of Shufeng Jiedu Capsules and the COVID-19-related human genes, so as to predict the mechanism of drug action. Results Through the GeneCards database, 546 COVID-19-related genes were obtained. A total of 101 active components with good drug-likeness were screened out via the TCMSP, and 102 target proteins were correspondingly predicted via the PubChem database. IPA analysis found that there were 331 common biological pathways between Shufeng Jiedu Capsules and COVID-19, which mainly focused on the pathways related to inflammation, immunity, cell proliferation, apoptosis and migration, acting on chemokine receptor 1(CXCR1), epidermal growth factor receptor(EGFR), matrix metalloproteinase 2(MMP2), matrix metalloproteinase 9(MMP9), phosphatidylinositol3-kinase(PI3 K), protein kinase B(PKB/AKT) and other sites. Conclusion Shufeng Jiedu Capsules may treat COVID-19 through biological pathways related to inflammation, immune response, cell proliferation, apoptosis and migration. Its mechanism of action may be related to chemotaxis of immune cells, activation of expressions of multiple inflammatory factors, and suppression of viruses.