Study on the mechanism of Lianhua Qingwen capsule absorbed components in prevention and treatment of COVID-19 by intervening on cytokines storm based on network pharmacology and molecular docking

ABSTRACT

To analyze the possible mechanism of the intervention of absorbed components of Lianhua Qingwen Capsule on COVID-19 from the perspective of cytokine storm based on network pharmacology and molecular docking. Through literature mining, the components of Lianhua Qingwen capsules into blood were determined, and the related action targets of the components were searched by TCMSP and BATMAN-TCM databases. The related targets of COVID-19 and cytokine storm were screened by GeneCards, OMIM and Drugbank databases. The protein interaction PPI network was constructed through String database. DAVID database was used for GO analysis and KEGG pathway analysis. Cytoscape 3.8.0 software was used to build the network diagram. Molecular docking was performed by AutoDock software.In addition, multiple organ tissue injury, immune injury and SARS related targets were retrieved and intersected with cytokine storm.A total of 17 absorbed components of Lianhua Qingwen Capsules were collected, 237 corresponding targets and 47 targets intersected with diseases obtained, and 22 core targets screened out.GO analysis and KEGG pathway analysis presented 174 entries and 83 entries respectively (P < 0.01). The molecular docking results showed that the compounds of Emodin, Formononetin, Rutin, Gallic acid, Liquiritigenin had good binding ability with the core target of AKT1, IL-6, TP53, JUN, TNF. The proportion of intersecting target of Lianhua Qingwen Capsule and multiple organ tissue injury and immune injury was 1.6%-2.0%, and the proportion of intersecting target and SARS was 4.3%. Absorbed components of Lianhua Qingwen Capsule could effectively prevent and treat COVID-19 by intervening cytokine storm through multi-component, multi-target and multi-pathway synergistic action, and its mechanism may be related to antigen-scavenging, immune-regulating and tissue and organ protection.