Erodium guttatum（セイヨウフウロ属）の化学的プロファイリングと多標的生物活性：LC-MS/MSおよび分子ドッキングの洞察

This study aimed to characterize the phytochemical composition and evaluate the biological activities of the hydroethanolic extract of Erodium guttatum (HEE) from Algeria. Liquid chromatography-electrospray ionization-mass spectrometry (LC-ESI-MS/MS) analysis identified 16 phenolic compounds, with shikimic acid, gallic acid, luteolin, and isoquercitrin as the main components. The extract showed high levels of total phenolics (208.09 ± 0.25 µg GAE/mg), flavonoids (97.07 ± 1.4 µg QE/mg), and flavonols (78.27 ± 0.05 µg QE/mg). Antioxidant assays revealed strong activity with IC₅₀ values of 3.88 ± 0.03 µg/mL (1,1-diphenyl-2-picrylhydrazyl [DPPH]), 6.33 ± 0.13 µg/mL (2,2'-azino-bis(3-ethylbenzothiazoline-6-sulfonic) acid [ABTS]), and A_0.5 = 10.11 ± 0.53 µg/mL (ferric reducing antioxidant power [FRAP]). The HEE extract exhibited inhibitory activity against butyrylcholinesterase (IC₅₀ = 21.42 ± 0.41 µg/mL) and high photoprotective potential, with a sun protection factor (SPF) of 43.23 ± 0.05. Antimicrobial tests revealed broad-spectrum activity, particularly against Listeria monocytogenes (minimum inhibitory concentration [MIC] = 0.35 mg/mL). In vivo experiments showed a significant analgesic effect after 1 h (200 mg/kg) and anti-inflammatory efficacy in the formalin-induced paw edema model (p < 0.001). Molecular docking revealed strong binding affinities between major compounds and key targets, including phospholipase, listeriolysin O, internalin, sortase B, collagenase-1, TNF-α, and cyclooxygenase-2. Overall, E. guttatum emerges as a promising natural source of bioactive compounds with potential pharmaceutical, cosmetic, and food applications.