目的 利用超高效液相色谱（UPLC）对黄芩茎叶中的黄酮类、酚酸类成分进行分析与评价，基于网络药理学和分子对接探讨黄芩茎叶防治新型冠状病毒肺炎（COVID-19）的潜在作用机制。方法 采用UPLC测定11个产地黄芩茎叶样品中9种黄酮类、3种酚酸类成分的含量，并利用SPSS 19.0对不同产地样品进行主成分分析。利用TCMSP数据库获取上述12种化学成分的作用靶点，使用GeneCards及NCBI数据库获取COVID-19靶点，导入Cytoscape 3.7.0软件建立药物-化学成分-靶点-疾病网络，导入STRING数据库获取靶点PPI网络，导入Bioconductor进行GO功能注释和KEGG通路富集分析。利用AutoDock Vina将化合物与新型冠状病毒（SARS-CoV-2）S蛋白受体结合结构域与血管紧张素转化酶II（ACE2）蛋白酶结构域复合物（SARS-CoV-2-S-RBD-ACE2）进行分子对接。结果 不同产地黄芩茎叶中均含有丰富的黄酮类、酚酸类成分，但含量差异较大，野黄芩苷为黄芩茎叶中含量最高的成分，相同产地黄芩茎叶化学成分相似度较高，不同产地黄芩茎叶化学成分相似度较低，表明不同产地黄芩茎叶样品化学成分含量差异可能与产地生态环境诸多生态因子密切相关。网络药理学结果显示黄芩茎叶10种成分可通过干预30个靶点、127条通路发挥防治COVID-19的作用。分子对接结果显示，10种化学成分与SARS-CoV-2-SRBD-ACE2均有较好的结合活性，其中8种成分的结合活性优于诊疗方案中4种COVID-19治疗药物。结论 研究建立了简单快速、全面可靠分析评价不同产地黄芩茎叶中黄酮类、酚酸类成分的方法，可为黄芩茎叶质量控制、资源综合利用提供思路。黄芩茎叶治疗COVID-19具有多成分、多靶点、多途径的特点，对COVID-19引起的免疫系统紊乱、炎症等具有潜在的防治作用。黄芩茎叶中多种黄酮类、酚酸类成分具有潜在的抗SARS-CoV-2活性及COVID-19治疗作用。黄芩茎叶、黄芩茎叶解毒胶囊和由黄芩茎叶制得的黄芩茶可用于COVID-19的防治中，黄芩茎叶亦可作为原料提取用于治疗COVID-19的活性成分。

Objective The components of flavonoids and phenolic acids in Scutellaria baicalensis stem-leaf were analyzed and evaluated by ultra high performance liquid chromatography (UPLC). Network pharmacology and molecular docking were adopted to discuss the potential mechanism of S. baicalensis stem-leaf on COVID-19.Methods The contents of nine flavonoids and three phenolic acids in the S. baicalensis stem-leaf from 11 regions were determined by UPLC, and the principal components of the samples were analyzed by spss19.0. TCMSP was used to obtain the target of the above 12 components. GeneCards and NCBI were used to obtain the target of COVID-19. Cytoscape 3.7.0 software was used to create a drug-chemical component-target-disease network. Using STRING and Cytoscape 3.7.0 software to establish and analyze the PPI network, and Bioconductor was used to analyze the GO function and KEGG pathway enrichment of the targets.Results The S. baicalensis stem-leaf from different regions are rich in flavonoids and phenolic acids, but the contents are quite different. Scutellarin is the highest content in the S. baicalensis stem-leaf. The similarity of chemical components in the S. baicalensis stem-leaf from the same region is higher than that from different regions, which indicates that the difference of chemical components in the S. baicalensis stem-leaf from different region may be closely related to many ecological factors in the ecological environment of the place of origin. The results of network pharmacology showed that 10 components of S. baicalensis stem-leaf could prevent and control COVID-19 by intervening 30 targets and 127 pathways. The results of molecular docking showed that 10 components had good binding activity with SARS-CoV-2-S-RBD-ACE2, and the binding activity of seven components was better than that of four COVID-19 drugs in the treatment plan. Conclusion This study established a simple, rapid, comprehensive and reliable method for the analysis and evaluation of the flavonoids and phenolic acids of S. baicalensis stem-leaf from different regions, which can provide ideas for the quality control of S. baicalensis stem-leaf and the comprehensive utilization of resources. The treatment of COVID-19 with S. baicalensis stem-leaf has the characteristics of multi-component, multi-target and multi-channel, which has potential prevention and treatment effect on immune system disorder and inflammation caused by COVID-19. flavonoids and phenolic acids in S. baicalensis stem-leaf have potential anti-SARS-CoV-2 activity and COVID-19 therapeutic effect. S. baicalensis stem-leaf or S. baicalensis tea could be used in the prevention and treatment of COVID-19, and S. baicalensis stem-leaf could also be used as raw materials to extract the active ingredients for the treatment of COVID-19.

江苏省自然科学基金资助（BK20191498）；江苏省高校青蓝工程项目（苏教师［2017］15号）；2019年江苏省地方标准项目计划（苏市监标［2019］89号）；江苏卫生健康职业学院校级课题重大项目（JKA201903）