Network pharmacology and molecular docking reveal that honeysuckle blood components mitigate smoke inhalation-induced lung injury via NF-κB pathway.

Abstract

The active components of honeysuckle alleviate smoke inhalation-induced lung injury by reducing inflammation and oxidative stress. This study aimed to investigate the intervention mechanism of honeysuckle blood components in smoke inhalation-induced lung injury using network pharmacology and molecular docking technology. The targets of honeysuckle blood-entering components were identified through the Swiss Target Prediction and Similarity Ensemble Approach databases. The target genes associated with smoke inhalation-induced lung injury were retrieved from the GeneCards and CTD databases. Cytoscape 3.7.1 software was employed to construct the blood component-target network of honeysuckle. GO biological process enrichment analysis of target genes related to inhalation-induced lung injury in Flos Lonicerae was performed using the DAVID tool. KEGG pathway enrichment analysis of anti-aspiration lung injury target genes in Flos Lonicera was conducted using the KOBAS 3.0 tool. The top six core targets with the highest PPIs in the network were selected for molecular docking verification. AutoDock was used to perform molecular docking with the blood-entering components of honeysuckle to verify their binding capabilities. A total of 95 targets of the blood components of honeysuckle and 960 targets related to smoke inhalation-induced lung injury were identified through network pharmacological analysis. Fifteen common targets of the blood components of honeysuckle were identified: CTSD, KLF5, TTR, HIF1A, CAPN1, GRIN1, ADAM10, ERAP1, NFE2L2, LGALS3, TLR4, GRB2, NF-κB1, RPS6KA1, and PTPN11. Network PPI analysis indicated that NF-κB1 was among the core targets. GO and KEGG enrichment analyses revealed that the components of Lonicerae lonicerae in the blood exerted therapeutic effects by regulating biological processes such as inflammation, apoptosis, oxidative stress, and the NF-κB signaling pathway. Molecular docking results showed that the blood components of honeysuckle exhibited strong binding affinities to IL-1β, NF-κB, and other core targets. This study revealed the potential mechanism of action of honeysuckle blood-entering components against smoke inhalation-induced lung injury through the NF-κB signaling pathway, NF-κB1, and other core targets, using network pharmacology and molecular docking techniques, thereby providing a theoretical foundation for further research on the application of honeysuckle in treating smoke inhalation-induced lung injury.