目的 探究升降散抑制新型冠狀病毒（SARS-CoV-2）的潛在作用。方法 采用ETCM、中藥系統(tǒng)藥理學分析平臺（TCMSP）、BATMAN-TCM和CMAUP數據庫獲得到升降散復方的靶蛋白基因；采用GeneCards數據庫獲取抗病毒相關靶基因；采用交集法進而獲得升降散復方與抗病毒作用相關的靶基因；運用Cytoscape 3.7.2構建“復方-中藥-靶點”網絡；運用R語言進行KEGG通路富集分析和GO功能富集分析，預測升降散抗病毒的潛在作用。采用TCMSP、中國知網和PubChem數據庫檢索升降散中的化學成分，將各化學成分與3CL水解酶和血管緊張素轉化酶II（ACE2）進行分子對接。結果 升降散復方可能通過663個基因發(fā)揮抗病毒作用。KEGG富集篩選得到10條與抗病毒最相關的通路（P<0.01），涉及甲型流感等通路。升降散中與SARS-CoV-2 3CL水解酶和ACE2進行分子對接的結合能數值小于-29.3 kJ/mol的化合物分別有133個和145個。結論 升降散可能通過多通路發(fā)揮抗病毒作用，對SARS-CoV-2具有潛在的抑制作用。

Objective To explore the potential effect of Shengjiang San for inhibiting SARS-CoV-2. Methods The target genes of Beauveria bassiana, Cryptotympana pustulata, Curcuma longa, Rheum officinale in Shengjiang San were screened out through the database analysis of Encyclopedia of Traditional Chinese Medicine (ETCM), and traditional Chinese medicine system pharmacology platform (TCMSP), Bioinformatics Analysis Tool for Molecular Mechanism of Traditional Chinese Medicine (BATMAN-TCM) and Collective Molecular Activities of Useful Plants (CMAUP). GeneCards database was used to obtain target genes of antivirus. The intersection method was used to obtain the target genes related to the antiviral effect of Shengjiang San. Cytoscape 3.7.2 software was applied for the construction of prescription-CMM-targets (genes) networks. Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis and gene ontology (GO) functional enrichment analysis were performed by R language to predict the potential mechanism of Shengjiang San against the virus. TCMSP, CNKI and PubChem databases were used to retrieve the chemical components of B. bassiana, C. pustulata, C. longa and R. officinale in Shengjiang San. AutoDock Vina 1.1.2 was used for molecular docking to study the interactions of each chemical component with SARS-CoV-2 3CL hydrolase or angiotensin converting enzyme II (ACE2). Results Shengjiang San could play an antiviral role through the corresponding 663 target genes. Top ten pathways were related to antivirus (P<0.01) in the KEGG pathway enrichment screening, including influenza A, etc. The affinity values of a total of 133 compounds in Shengjiang San were<-29.3 kJ/mol for molecular docking with SARS-CoV-2 3CL hydrolase. The affinity values of 145 compounds for molecular docking with ACE2 were<-29.3 kJ/mol. Conclusion Shengjiang San could regulate multiple signaling pathways to inhibit virus, and have a potential inhibiting effect on SARS-Cov-2.

R285.5

國家中醫(yī)藥管理局基本中醫(yī)藥循證能力建設項目[國中醫(yī)藥科技（2019）130號]；遼寧中醫(yī)藥管理局中醫(yī)藥臨床學（專）科能力建設項目[遼中醫(yī)藥函字（2018）27號]