Study on the anti-inflammatory mechanism of Piper longum L.based on network pharmacology and molecular docking

Liu Xiaojuan; Hai Xuefeng

doi:10.20154/j.cnki.issn1672-9692.2025.05.004

Abstract：The experiment aims to explore the anti-inflammatory mechanism of Piper longum L.in bovine diseases through network pharmacology and molecular docking methods.The Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP)was used to collect the active compounds of Piper longum L.and their action targets.The GeneCards database was used to collect inflammation-related targets,and the intersection targets were obtained using Venny 2.1.The intersection targets were used to construct a protein-protein interaction(PPI)network model through the STRING 12.0 database.Then,gene ontology(GO)analysis and Kyoto Encyclopedia of Genes and Genomes(KEGG)enrichment analysis were performed on the targets involved in the network diagram construction.Finally,molecular docking was carried out using AutoDock Vina 1.1.2.The results showed that a total of 16 active compounds of Piper longum L.were obtained,including piperine,sesamin,piperlonguminine,etc.There were 42 targets related to inflammation,among which 36 targets were involved in the PPI network construction,including interleukin-6(IL-6),tumor necrosis factor(TNF),prostaglandin-endoperoxide synthase 2(PTGS2),nitric oxide synthase 3(NOS3),etc.The biological processes involved in these targets mainly included positive regulation of osteoclast differentiation,positive regulation of glial cell proliferation,and production of vascular endothelial growth factor.The enriched pathways mainly involved the TNF signaling pathway,chemical carcinogenesis-receptor activation,interleukin-17(IL-17)signaling pathway,etc.The molecular docking results indicated that the active compounds of Piper longum L.,piperine,had good binding activities with IL-6 and TNF,and sesamin had good binding activities with NOS3 and PTGS2.The study shows that Piper longum L.,a traditional Chinese medicinal material that can be used as both food and medicine,has potential advantages in preventing or treating bovine inflammatory diseases.