目的 利用網(wǎng)絡(luò)藥理學(xué)技術(shù)探討清咳平喘顆粒治療新型冠狀病毒肺炎（COVID-19）的作用機(jī)制。方法 使用TCMSP、Swiss Target Prediction等數(shù)據(jù)庫預(yù)測清咳平喘顆粒的主要成分和其作用靶點(diǎn)，再與CTD、GeneCards數(shù)據(jù)庫得到的COVID-19的疾病靶點(diǎn)交集整合，獲得清咳平喘顆粒治療COVID-19的潛在靶點(diǎn)。借助String平臺繪制蛋白質(zhì)相互作用（PPI）網(wǎng)絡(luò)及篩選核心靶點(diǎn)，并開展基因本體（GO）注釋功能與京都基因與基因組百科全書（KEGG）通路富集分析。依托Cytoscape軟件繪制“成分-靶點(diǎn)-通路”的網(wǎng)絡(luò)圖。采用Autodock分子對接技術(shù)將關(guān)鍵靶點(diǎn)與清咳平喘顆粒中關(guān)鍵成分進(jìn)行驗(yàn)證。結(jié)果 共獲得261個藥物-疾病共同靶點(diǎn)，包括TNF、IL6、ALB、AKT1、VEGFA在內(nèi)的91個核心靶點(diǎn)。GO富集分析、KEGG富集分析分別共得到條目1 508個、152個，涵蓋Toll-like receptor（TLR）信號通路、IL-17信號通路和HIF-1信號通路等。分子對接結(jié)果顯示，麻黃堿、苦杏仁苷是清咳平喘顆粒抗COVID-19主要活性成分。結(jié)論 運(yùn)用網(wǎng)絡(luò)藥理學(xué)得到了清咳平喘顆?？笴OVID-19的作用靶點(diǎn)和通路，為進(jìn)一步探討清咳平喘顆粒治療COVID-19的作用機(jī)制提供依據(jù)。

Objective To explore the mechanism of Qingke Pingchuan Granule in treatment of COVID-19. Methods TCMSP, Swiss Target Prediction and other databases were used to predict the main components and targets of Qingke Pingchuan Granules. Then, it was comprehensive with the disease targets of COVID-19 obtained from CTD and GeneCards databases to obtain the potential targets of Qingke Pingchuan Granules in treatment of COVID-19. PPI network was mapped with String platform and core targets were screened, and enrichment analysis of GO function and KEGG pathway was carried out. Cytoscape software was used to map the component-Target-pathway network. The key targets with the key components Qingke Pingchuan granules was verified by adopting the Autodock molecular docking technology. Results A total of 261 drug-disease common targets were obtained, including 91 core targets including TNF, IL6, ALB, AKT1, and VEGFA. A total of 1508 and 152 items were obtained by GO and KEGG enrichment analysis, respectively, covering Toll-like signaling pathway, IL-17 signaling pathway and HIF-1 signaling pathway. Molecular docking results showed that ephedrine and amygdalin were the main active components of Qingke Pingchuan Granules against COVID-19. Conclusion The target and pathway of COVID-19, which provides a realistic basis for further exploring the mechanism of the treatment of COVID-19.

R285.5

南京醫(yī)科大學(xué)科技發(fā)展基金項(xiàng)目（NMUB20220054）