Objective: To study the QingFeiPaiDu Decoction (QFPDD) in the treatment of Corona Virus Disease 2019 (COVID-19) bioactive ingredient and its potential mechanism. Methods: Combined with the clinical symptoms of COVID-19 patients, a "component-target-disease" network model was constructed based on the network pharmacology method, and potential active components, targets and molecular mechanisms of QFPDD for COVID-19 were screened out through topology parameter analysis.Results: We collected 376 active ingredients of QFPDD from the database, and 18833 potential anti-novel coronaviruses (SARS-CoV-2) targets were analyzed and screened. The principal targets involved PIK3CA, PIK3R1, APP, SRC, MAPK1, MAPK3, AKT1, HSP90AA1, EP300, CDK1, etc. We obtained 574 GO entries by Gene Ontology enrichment analysis and obtained 214 signal pathways with P<0.05 by KEGG (Kyoto Encyclopedia of Genes and Genomes) pathway analysis. Among them, the antiviral biological processes of QFPDD included a cellular response to nitrogen compound, protein kinase activity, membrane raft, etc. Pathways involved in the regulation include Pathways in cancer, Endocrine resistance, PI3K-Akt signaling pathway, Proteoglycans in cancer, etc. Molecular docking results showed that the core ingredients of QFPDD have a better affinity to the 2019-nCoV 3CL hydrolytic enzyme (Mpro) and angiotensin-converting enzyme 2 (ACE2). Conclusion: Through network pharmacology research and molecular docking verification, this paper preliminarily explored the potential molecular mechanism and relevant active ingredients of QFPDD playing an anti-SARS-CoV-2 role, providing a reference for the further development and utilization of QFPDD and the development of new specific antiviral drugs.

Background and objectives: QingFeiPaiDu decoction (QFPDD) treatment benefits patients with coronavirus disease 2019 . This study aims to elucidate the mechanisms that underlie the anti-inflammatory effects of QFPDD.Methods: Based on the clinical symptoms of COVID-19 patients, a component-target-disease network was constructed using the network pharmacology method, and the potential active components, targets, and molecular mechanisms of QFPDD for the treatment of COVID-19 were screened using topology parameter analysis. The best molecules that were affected by QFPDD were validated using Real-Time quantitative polymerase chain reaction (RT-qPCR) in a cellular inflammation model. Results:In total, 376 active ingredients were identified in QFPDD, and 18,833 potential anti-severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) targets. The principal targets included PIK3CA, PIK3R1, APP, SRC, MAPK1, MAPK3, AKT1, HSP90AA1, EP300, and CDK1. Overall, 574 gene oncology entries and 214 signal pathways were identified. QFPDD affected the cellular response to nitrogen compounds, protein kinase activity, and membrane rafts. QFPDD modulated pathways that are associated with cancer, endocrine resistance, PI3K-Akt signaling, and proteoglycans in cancer. Molecular docking indicated that the core ingredients of QFPDD had a strong binding affinity for SARS-CoV-2 3-chymotrypsin-like cysteine protease (3CLpro) and angiotensin-converting enzyme 2 (ACE2). QFPDD treatment significantly mitigated the lipopolysaccharides-induced five targeted gene transcription in A549 cells. Conclusions:Our findings preliminarily elucidated that through its active ingredients QFPDD targeted 3CLpro and ACE2 to modulate many factors and pathways that are associated with the pathogenesis of COVID-19. The identified potential molecular mechanism, relevant factors, and key genes QFPDD targeted might help in the design of new and specific antiviral drugs.