关键词:
AKT1
inflammatory factors
molecular docking
network pharmacology
sepsis
Simo Decoction
摘要:
Objective: To investigate the potential mechanisms of Simo Decoction in the treatment of sepsis and elucidate its active components and therapeutic targets through animal experiments, network pharmacology, and molecular docking techniques. Methods A sepsis model was established in BALB/c mice by ip injection of lipopolysaccharide (25 mg·kg−1). Fifty mice were randomly divided into five groups: Simo Decoction high-, middle-, low-dose (12.00, 7.56, 3.00 mL·kg−1) groups, model group, and control group. Mortality rates were recorded 24 h after modeling, and serum levels of IL-1β, IL-6, and TNF-α were measured. Active components of Simo Decoction were identified using the Traditional Chinese Medicine Systems Pharmacology Database (TCMSP), and their molecular structures were retrieved from the PubChem database. Potential targets were predicted using SwissTargetPrediction, and sepsis-related targets were identified through the GeneCards and Comparative Toxicogenomics Database (CTD). The intersection of Simo Decoction targets and sepsis targets was analyzed using the "VennDiagram" package in R. Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analyses were conducted. Core targets were identified through the STRING database and Cytoscape 3.10.2 software. Molecular docking analyses were performed using AutoDock 4.2.6. Results At 24 h post-modeling, Simo Decoction treatment significantly reduced mortality and inhibited the expression of inflammatory cytokines in septic mice, with statistically significant differences (P < 0.05). Twenty-six active components of Simo Decoction were identified, yielding 737 potential targets. The intersection with 3 240 sepsis-related targets resulted in 325 common targets. GO and KEGG analyses revealed that Simo Decoction primarily targets pathways associated with inflammation, immune regulation, and tissue repair. The key active component, lappadilactone, was found to interact with c