Analysis on material basis and efficacy network of Huopo Xialing Decoction in treating damp pathogen stagnation of lung syndrome of early COVID-19 / 中草药

ABSTRACT

Objective: To screen the material basis of Huopu Xialing Decoction in the treatment of damp pathogen stagnation of lung syndrome of early COVID-19 and predict its mechanism. Methods: Literatures and clinical reports were reviewed to analyze the relationship between Huopu Xialing Decoction and damp pathogen stagnation of lung syndrome of early stage of COVID-19. TCMSP database was used to screen the potential active components in Huopo Xialing Decoction. Molecular docking of the active components with SARS-CoV-2 hydrolase and ACE2 was also carried out. According to the binding ability, the core components with both were screened. The interaction network of key components target proteins was constructed by using the software of Cytoscape to screen the main targets; The GO analysis of the main targets was carried out by using the STRING database, and the Pathway and KEGG enrichment analysis was carried out by using the plug-in of the software ClueGO of Cytoscape. Results: The Huopo Xialing Decoction was used to treat the early coronavirus pneumonia with damp pathogen and lung depression syndrome in the relationship analysis between prescriptions and syndrome, and the potential components of the 12 ingredients in Huopo Xialing Decoction were selected, with 67 core targets. Among them, paryriogenin I from Tetrapanax papyrifer, ergosterol peroxide from Poria cocos and Polyporus umbellatus, baicalin from Pinellia ternata had good binding activity with SARS-CoV-2 3CL hydrolase and ACE2. The results of enrichment analysis of GO, Pathway and KEGG showed that 12 potential components in Huopo Xialing Decoction were involved in regulating the biological processes such as stimulation response, signal transduction, cell death and the related signaling pathways including interleukins, EGFR in cancer, tyrosine kinases, programmed cell death and MAPK signaling pathways. Conclusion: For the early COVID-19 patients with the syndrome of damp pathogen stagnation of lung, Huopo Xialing Decoction was used to resolve dampness and detoxification, and ventilate lung and promote pathogenic penetration. Phenanthrone, baicalin, jujuboside_qt, cerevisterol, hederagenin, ergosterol peroxide, citrostadienol, ergosterol-7,22-diene-3-one, paryriogenin I, alisol B,23-acetate, alisol B, neohesperidin may be the main material basis, and play a role by blocking the protein synthesis of SARS-CoV-2 virus, preventing the virus from entering the host cells, regulating the IL signaling pathway, MAPK signaling pathway, PI3K-Akt signaling pathway, T cell receptor signaling pathway, C-type lectin receptor signaling pathway and inhibiting the expression of related inflammatory factors.