Mechanism of "Child prevention prescription" of Hunan province in prevention and treatment of COVID-19 based on network pharmacology and molecular docking

ABSTRACT

To analyze the mechanism of novel coronavirus prevention prescription in Hunan province by using network pharmacology method. Methods TCMSP, Batman-TCM and ETCM were used to retrieve drug composition and target information, and GeneCards, OMIM, DrugBank, TTD and PharmGkb were used to screen disease targets. The visualization network diagram of "drug-active component-target" was constructed by Cytoscape, the protein interaction network was drawn by STRING, the core targets of PPI network were analyzed by CytoNCA, GO function and KEGG pathway were analyzed, and the mechanism of action was predicted. Results A total of 418 active ingredients, 1 715 drug targets, 1 289 disease targets and 266 intersection targets were screened out. Quercetin, luteolin, kaempferol, baicalein, ursolic acid and naringin were identified as the key components, and 6 core targets were obtained RELA, AKT1, STAT3, JUN, MAPK1 and MAPK3. The results of molecular docking showed that the binding potential and activity of the key active ingredients to the core target were good. Conclusions "Child prevention formula" has the characteristics of multi-target, multi-approach and multi-faceted prevention and treatment, which plays a role in prevention and treatment of COVID-19 among children. Copyright © 2022 Publication Centre of Anhui Medical University. All rights reserved.