关键词: 蒲公英提取物；抗炎活性；网络药理学；超高效液相色谱-四极杆飞行时间质谱；分子对接；药食同源

Abstract: To systematically analyze the anti-inflammatory components and mechanisms of water extracts from the leaves and roots of Taraxacum mongolicum, an in vitro cellular inflammation model was established using lipopolysaccharide (LPS)-induced macrophage RAW264.7 cells. The expression levels of nitric oxide (NO), interleukin-6 (IL-6), and tumor necrosis factor-α (TNF-α) in the cell supernatant were measured. Meanwhile, ultra-high performance liquid chromatography-quadrupole-time of flight-mass spectrometry (UPLC-Q-TOF-MS) was employed to identify the chemical constituents in the extracts. Network pharmacology was applied to predict potential anti-inflammatory components and their targets, followed by molecular docking to virtually validate the interactions between the potential active components and core inflammatory targets. The results showed that both extracts exhibited no significant cytotoxicity toward RAW264.7 cells at concentrations ranging from 0 to 600 µg/mL, with cell viability rates ≥ 98.7%. The extracts significantly inhibited LPS-induced NO synthesis and the secretion of IL-6 and TNF-α in a dose-dependent manner. UPLC-Q-TOF-MS analysis identified a total of 56 chemical components from these extracts, including 17 flavonoids, 15 phenolic acids, 9 terpenoids, 4 organic acids, 2 catechins, 2 steroids, 2 phenylpropanoids, 2 nucleosides, and 3 other compounds. Using network pharmacology, it was found that the two extracts may exert anti-inflammatory effects through its components such as genkwanin, glycyrrhetinic acid, luteolin, corosolic acid, isochlorogenic acid C, caffeoyltartaric acid, chicoric acid, luteolin-7-O-(6”-malonylglucoside), luteolin-7-O-glucoside, and chlorogenic acid. These components acted on core targets such as GAPDH, AKT1, IL-1β, TNF, IL-6, TP53, and EGFR, thereby modulating signaling pathways including neuroactive ligand-receptor interaction, amyotrophic lateral sclerosis, and cyclic guanosine monophosphate-protein kinase G interaction. Molecular docking analysis indicated good binding affinity between the core inflammatory targets and the key effective components. In conclusion, the aqueous extracts of T. mongolicum leaves and roots demonstrate significant anti-inflammatory activity through multi-component, multi-target, multi-pathway synergistic mechanisms. This study’s findings provide a scientific basis for the development of T. mongolicum leaves and roots as a medicinal and edible resource for their anti-inflammatory functions.

Key words: Taraxacum mongolicum extracts; anti-inflammatory activity; network pharmacology; ultra-high performance liquid chromatography-quadrupole-time of flight-mass spectrometry; molecular docking; medicinal and edible resources