Anti-inflammatory mechanism of main constituents in essential oil from schizonepeta tenuifolia briq. based on network pharmacology / 中国药理学通报

ABSTRACT

Aim To explore the main components and anti-inflammatory mechanisms of essential oil from Schizonepeta tenuifolia Briq. based on network pharmacology. Methods TCMSP and SwissTargetPrediction were utilized to obtain the corresponding targets of molecules, and the active components were screened. The molecular-target network was constructed. Then, protein-protein interaction analysis, GO analysis, and KEGG pathway analysis were performed. Finally, mo-lecular docking by SystemsDock was combined with previous literature. Results According to the results of network analysis, 13 main components corresponding to 45 targets were screened out. IL6, TNF, ILip, IL10, PTGS2, PTGS1, CHRMi, and CHRNA7 were important inflammatory targets through NF-kB and IL-17 signaling pathway. Biological processes such as response to drug, 7-aminobutyric acid pathway, and molecular functions such as extracellular ligand-gated ion channel activity, GABA-A receptor activity play a role in inflammation related to alcohol consumption, type 2 diabetes, psychiatric disorders, enteropathy, lung diseases, etc. 8,9-dehydrothymol, benzaldehyde, caryo-phyllene, a-humulene, D-germacrene, and pulegone were important anti-inflammatory components, exerting significant effects on CHRNA7, PTGS2 and PTGS1. Conclusion This method initially reveals the effective components and potential targets of essential oil from Schizonepeta tenuifolia Briq.