摘要
目的:基于网络药理学筛选出双黄连口服液主要活性化合物,预测双黄连口服液治疗新型冠状病毒肺炎(COVID-19)的潜在作用靶点及信号通路,探讨其作用机制。方法:利用TCMSP平台和相关文献记载检索双黄连口服液3味中药的化学成分和作用靶点,并根据口服生物利用度及药物相似性筛选出药物成分作用靶点;通过GeneCards数据库获取COVID-19的相关靶标。采用David数据库对交集靶点进行GO功能富集分析和KEGG通路富集分析。结果:得出82个活性成分和共对应154个靶点,活性化合物涉及quercetin(槲皮素)、beta-sitosterol(β-谷固醇)、neobaicalein (黄芩新素)等。通过Venn图得出与新型冠状病毒肺炎共同靶点28个,蛋白网络互作关键蛋白涉及CASP3、TP53、MAPK8、IL6、CCL2等。通过GO分析得出192条生物过程、26条细胞组分、28条分子功能,通过KEGG通路富集得出83条信号通路(P<0.05),其中基因数目>8的通路主要涉及乙型肝炎、肿瘤坏死因子信号通路、肺结核、百日咳、沙门氏菌感染、甲型流感、单纯疱疹病毒感染等通路。结论:初步探索了双黄连口服液抗新型冠状病毒肺炎的作用机制,其活性化合物主要通过多靶点、多通路治疗新型冠状病毒肺炎,研究结果可为中医药治疗新冠肺炎提供一定的理论基础与科学依据。
Objective: To screen out the main active compounds of Shuanghuanglian oral liquid based on network pharmacology, to predict the potential targets and signal pathways of Shuanghuanglian oral liquid in the treatment of novel coronavirus pneumonia(COVID-19),and to explore its mechanism of action.Methods: The chemical components and targets of three traditional Chinese medicines in Shuanghuanglian oral liquid were searched by using TCMSP platform and relevant literature records.COVID-19 related targets were obtained from GeneCards database.David database was used to carry out GO function enrichment analysis and KEGG pathway enrichment analysis on intersection targets.Results: 82 active compounds and 154 targets were obtained, including quercetin, beta-sitosterol, neobaicalein, etc.Through Venn diagram, 28 common targets with the novel coronavirus pneumonia were obtained, the key proteins for protein network interaction involved CASP3,TP53,MAPK8,IL6,CCL2,etc.192 biological processes, 26 cell components and 28 molecular functions were obtained through GO analysis and 83 signaling pathways were obtained through KEGG pathway enrichment(P<0.05),of which the pathways gene number>8 were mainly involved in hepatitis b, tumor necrosis factor signaling pathway, pulmonary tuberculosis, whooping cough, salmonella infection, influenza a, herpes simplex virus infection, etc.Conclusion: The mechanism of Shuanghuanglian oral liquid against novel coronavirus pneumonia is preliminarily explored in this paper, and its active compounds mainly treat novel coronavirus pneumonia through multi-targets and multi-pathways therapy.The research results can provide the certain theoretical basis and scientific basis for the treatment of novel coronavirus pneumonia with traditional Chinese medicine.
作者
郑正伟
叶文倩
刘传锋
ZHENG Zheng-wei;YE Wen-qian;LIU Chuan-feng(Lishui Traditional Chinese Medicine Hospital,Zhejiang Province,Lishui 323000,China)
出处
《中药材》
CAS
北大核心
2020年第6期1515-1522,共8页
Journal of Chinese Medicinal Materials
基金
丽水市科技计划项目(2015sjzc24)。
关键词
双黄连口服液
新型冠状病毒肺炎
网络药理学
靶点
信号通路
Shuanghuanglian oral liquid
Novel coronavirus pneumonia
Network pharmacology
Targets
Signaling pathways
