Explore mechanism of blood components Lonicerae Japonicae Flos intervening COVID-19 based on network pharmacology and molecular docking technology

ABSTRACT

Objective To explore the mechanism of Lonicerae Japonicae Flos (LJF) intervening COVID-19 by network pharmacology and molecular docking. Methods The potential targets of ingredients in serum of LJF were searched by Swiss Target Prediction and Similarity Ensemble Approach platform, and to predict and screen the therapeutic targets of COVID-19 through GeneCards and CTD databases. Ingredients in serum-target pathway network model was established by Cytoscape 3.7.1 software. GO biological process enrichment analysis of anti-COVID-19 target genes in Lonicerae Japonicae Flos was performed by DAVID, and KEGG pathway enrichment analysis of anti-COVID-19 target genes in in serum of Lonicerae Japonicae Flos was performed by KOBAS 3.0. Results Ten ingredients in serum of Lonicerae Japonicae Flos such as hyperoside, 7-methoxycoumarin, 3-O-feruloylquinic acid, chlorogenic acid, neochlorogenic acid, cryptochlorogenic acid, dimethyl terephthalate, dibutyl sebacate, hexadecenoic acid, herboxidiene involved in PIK3R1, NFKB1, HRAS, IL6, TNF, TP53, CASP3, GRB2, GSK3B, JUN, MAPK10, MAPK14, MAPK8, PRKCA, and affected 27 mainly pathways involved in immune, inflammation, virus, nervous system, and so on. The molecular docking showed that the binding energy of hyperoside with the SARS-CoV-2 3CL hydrolase and ACE2 were most stable. Conclusion Ingredients in serum of Lonicerae Japonicae Flos may interfere proteins and pathways related to anti-inflammatory, antiviral immunity, antipyretic, analgesic and sedation to play a role against COVID-19. © Endocrinology Research Centre, 2022.