Chemical Components and Anti-Inflammatory Activity of Nauclea officinalis Branches: A Multidimensional Analysis Through Bioinformatics, Metabolomics, and In Vitro Experiments

ObjectiveTo comprehensively investigate the chemical composition and potential anti-inflammatory mechanisms of Nauclea officinalis in the management of chronic pneumonia.MethodsUntargeted metabolomics was used to identify the chemical constituents of aqueous and ethanol extracts of N. officinalis. Network pharmacology and KEGG pathway enrichment analyses were performed to predict potential targets and signaling pathways associated with its anti-inflammatory activity. Molecular docking was conducted to evaluate the binding potential between representative bioactive compounds and core inflammation-related targets. In addition, an LPS-induced RAW264.7 macrophage inflammatory model was established to validate the anti-inflammatory effects of the extracts in vitro.ResultsA total of 420 chemical compounds were identified from the aqueous and ethanol extracts of N. officinalis, among which flavonoids and alkaloids were the predominant active components. Network pharmacology combined with KEGG enrichment analysis indicated that N. officinalis may exert anti-inflammatory effects through multiple targets and pathways, particularly cytokine-cytokine receptor interaction, PI3K-AKT, MAPK, NF-κB, and AGE-RAGE signaling pathways. Molecular docking suggested favorable binding between representative bioactive compounds and key inflammation-related targets, including STAT3, AKT1, IL-6, and TNF, providing supportive evidence for possible compound-target interactions. In vitro experiments showed that both aqueous and ethanol extracts of N. officinalis significantly suppressed the secretion of pro-inflammatory cytokines in LPS-stimulated RAW264.7 macrophages. Although this model represents acute inflammatory stimulation, it reflects inflammatory responses relevant to chronic pulmonary inflammatory disorders and thus provides supportive evidence for the anti-inflammatory potential of N. officinalis in chronic pneumonia.ConclusionNauclea officinalis contains multiple bioactive compounds and may exert anti-inflammatory effects through multi-target and multi-pathway mechanisms. These findings provide preliminary evidence supporting its potential role in the treatment of chronic pneumonia. Further in vivo pharmacodynamic studies are needed to confirm these effects and facilitate its clinical translation.