目的 利用超高效液相色譜（UPLC）對黃芩莖葉中的黃酮類、酚酸類成分進行分析與評價，基于網(wǎng)絡(luò)藥理學(xué)和分子對接探討黃芩莖葉防治新型冠狀病毒肺炎（COVID-19）的潛在作用機制。方法 采用UPLC測定11個產(chǎn)地黃芩莖葉樣品中9種黃酮類、3種酚酸類成分的含量，并利用SPSS 19.0對不同產(chǎn)地樣品進行主成分分析。利用TCMSP數(shù)據(jù)庫獲取上述12種化學(xué)成分的作用靶點，使用GeneCards及NCBI數(shù)據(jù)庫獲取COVID-19靶點，導(dǎo)入Cytoscape 3.7.0軟件建立藥物-化學(xué)成分-靶點-疾病網(wǎng)絡(luò)，導(dǎo)入STRING數(shù)據(jù)庫獲取靶點PPI網(wǎng)絡(luò)，導(dǎo)入Bioconductor進行GO功能注釋和KEGG通路富集分析。利用AutoDock Vina將化合物與新型冠狀病毒（SARS-CoV-2）S蛋白受體結(jié)合結(jié)構(gòu)域與血管緊張素轉(zhuǎn)化酶II（ACE2）蛋白酶結(jié)構(gòu)域復(fù)合物（SARS-CoV-2-S-RBD-ACE2）進行分子對接。結(jié)果 不同產(chǎn)地黃芩莖葉中均含有豐富的黃酮類、酚酸類成分，但含量差異較大，野黃芩苷為黃芩莖葉中含量最高的成分，相同產(chǎn)地黃芩莖葉化學(xué)成分相似度較高，不同產(chǎn)地黃芩莖葉化學(xué)成分相似度較低，表明不同產(chǎn)地黃芩莖葉樣品化學(xué)成分含量差異可能與產(chǎn)地生態(tài)環(huán)境諸多生態(tài)因子密切相關(guān)。網(wǎng)絡(luò)藥理學(xué)結(jié)果顯示黃芩莖葉10種成分可通過干預(yù)30個靶點、127條通路發(fā)揮防治COVID-19的作用。分子對接結(jié)果顯示，10種化學(xué)成分與SARS-CoV-2-SRBD-ACE2均有較好的結(jié)合活性，其中8種成分的結(jié)合活性優(yōu)于診療方案中4種COVID-19治療藥物。結(jié)論 研究建立了簡單快速、全面可靠分析評價不同產(chǎn)地黃芩莖葉中黃酮類、酚酸類成分的方法，可為黃芩莖葉質(zhì)量控制、資源綜合利用提供思路。黃芩莖葉治療COVID-19具有多成分、多靶點、多途徑的特點，對COVID-19引起的免疫系統(tǒng)紊亂、炎癥等具有潛在的防治作用。黃芩莖葉中多種黃酮類、酚酸類成分具有潛在的抗SARS-CoV-2活性及COVID-19治療作用。黃芩莖葉、黃芩莖葉解毒膠囊和由黃芩莖葉制得的黃芩茶可用于COVID-19的防治中，黃芩莖葉亦可作為原料提取用于治療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.

江蘇省自然科學(xué)基金資助（BK20191498）；江蘇省高校青藍工程項目（蘇教師［2017］15號）；2019年江蘇省地方標準項目計劃（蘇市監(jiān)標［2019］89號）；江蘇衛(wèi)生健康職業(yè)學(xué)院校級課題重大項目（JKA201903）