关键词: 山金柑；化学成分；超高效液相色谱-质谱联用；抗炎活性；网络药理学

Abstract: In this study, ultra-high performance liquid chromatography-mass spectrometry (UPLC-MS) was used to detect the chemical composition of wild Jindou kumquat fruit in Ganzhou, and its pharmacologically active components and their mechanism of action were explored by network pharmacology and then verified by experiments and molecular docking. The results showed that 101 chemical components were identified in four types of wild Jindou kumquat, including 20 pharmacologically active ingredients. A total of 376 targets for these active ingredients, 6 931 potential targets of pharyngitis, and 101 shared targets were identified and 5 core targets (GRM5, GRK2, GABRA2, ABL1 and OPRM1) were selected, involving 327 Gene Ontology (GO) entries and 192 Kyoto Encyclopedia of Genes and Genomes (KEGG) pathways. Jindou kumquat fruit extract at medium and high concentrations had a good inhibitory effect on pyridine-induced pharyngitis in SD rats and promoted significantly differential expression of the GRM5, GRK2, GABRA2, ABL1 and OPRM1 genes in the rat pharynx. The molecular docking results showed that citromitin, hesperetin, naringenin, nobiletin, poncimmarin had good binding affinity with GRM5, GRK2, GABRA2, ABL1 and OPRM1, and offered advantages in molecular docking over the anti-pharyngitis drugs dexamethasone and diquacromine. In conclusion, this study provides theoretical support for the medicinal value of wild Jindou kumquat in Ganzhou.

Key words: Fortunella hindsii; chemical composition; ultra-high performance liquid chromatography-mass spectrometry; anti-inflammatory activity; network pharmacology