Study on the Mechanism of treating COVID-19 with Shenqi Wan based on Network Pharmacology

Ye, Xian-Wen; Deng, Ya-Ling; Zhang, Xia; Liu, Min-Min; Liu, Ying; Xie, Ya-Ting; Wan, Quan; Huang, Min; Zhang, Tao; Xi, Jia-He; Zhang, Jin-Lian

PURPOSE: Through the method of network pharmacology, the active components and targets of Shenqi wan (SQW) were excavated, the relationship with COVID-19 was discussed, and the possible mechanism of SQW in the treatment of COVID-19 was revealed from the aspects of multi-components, multi-targets, and multi-pathways. METHODS: Firstly, the active components of SQW were screened from TCMSP and the 2020 edition of Chinese Pharmacopoeia, and the related targets of the components were obtained. Then the disease targets related to COVID-19 were screened from GeneCards and OMIM. Venny was used to map the relationship between component-target and disease-target, and String was used to analyzing the interaction of common targets. The network was constructed and analyzed by Cytoscape, the function of GO and KEGG genes was enriched by Metascape, and the molecular docking was verified by CB-Dock. RESULTS: Finally, 45 active components of SQW were obtained, and 72 potential targets were related to COVID-19, ACE2, IL6, NOS3, and CRP may be the key targets. GO enrichment of 1715 projects, such as lipopolysaccharide stress response, active oxygen metabolism, positive regulation of cell migration, and other GO enrichment. 136 KEGG pathways were obtained, TNF signaling pathway, IL-17 signaling pathway, HIF-1 signaling pathway. Molecular docking showed that kaempferol, quercetin, luteolin, astragaloside, calyx isoflavone glucoside, matrine, and other COVID-19-related targets such as ACE2, 3CLpro, PLpro, PTGS2 have good binding ability. CONCLUSION: According to the above results, it is suggested that SQW may play a role in the treatment of COVID-19 by directly or indirectly combining kaempferol, quercetin, and luteolin with ACE2, 3CLpro, PLpro, and PTGS2 to regulate multiple biological functions and signaling pathways.