UHPLC-QTOF-MS/MS profiling, molecular networking, and molecular docking analysis of Gliricidia sepium (Jacq.) Kunth. ex. Walp. stem ethanolic extract and its gastroprotective effect on gastritis in rats DOI Creative Commons
Aya A. Wafaey, Seham S. El‐Hawary, Osama G. Mohamed

et al.

Toxicology Reports, Journal Year: 2025, Volume and Issue: 14, P. 101944 - 101944

Published: Feb. 4, 2025

Metabolic profiling of the crude ethanolic extract Gliricidia sepium (Jacq.) Kunth. ex. Walp. stem (GSS) was conducted using ultra-high performance quadrupole time flight mass spectrometry/mass spectrometry (UHPLC-QTOF-MS/MS) in negative mode, resulting identification 23 compounds belonging to various classes such as flavonoids, fatty acids, triterpenoid saponins, and phenolic acids. Notably, eight flavonoids including kaempferol-3-O-robinoside-7-O-rhamnoside, isoquercitrin, kaempferol-3-O-rutinoside, apigenin-7-glucoside, kaempeferol-7-O-rhamnoside, luteolin, apigenin, liquiritigenin, along with two acids (4-hydroxycinnamic acid 2-hydroxyhydrocinnamic acid) four saponins (soyasaponin I, soyasaponin II, III, kaikasaponin III) were dereplicated. Additionally, nine derivatives identified, azelaic 2-isopropyl malic acid. Molecular networking analysis revealed formation clusters among while others do not form clusters. Further indicated that GSS exhibited a total content 38.78 ± 1.609 µg gallic equivalent/mg flavonoid 5.62 0.50 rutin equivalent/mg. Biological evaluations showed mitigated gastric tissue injury induced by pyloric ligation, notable reduction oxidative stress marker reactive oxygen species levels inflammatory cytokines interleukin-6 tumor necrosis factor-alpha levels. it enhanced superoxide dismutase inhibitor nuclear factor kappa B alpha levels, lowering expression inducible nitric oxide synthase. Histopathological examination significant improvements morphology GSS-treated groups compared control group. docking studies potential interactions between target proteins involved stress, inflammation, protection gastritis. This study aims investigate gastroprotective activity against gastritis via ligation.

Language: Английский

UHPLC-QTOF-MS/MS profiling, molecular networking, and molecular docking analysis of Gliricidia sepium (Jacq.) Kunth. ex. Walp. stem ethanolic extract and its gastroprotective effect on gastritis in rats DOI Creative Commons
Aya A. Wafaey, Seham S. El‐Hawary, Osama G. Mohamed

et al.

Toxicology Reports, Journal Year: 2025, Volume and Issue: 14, P. 101944 - 101944

Published: Feb. 4, 2025

Metabolic profiling of the crude ethanolic extract Gliricidia sepium (Jacq.) Kunth. ex. Walp. stem (GSS) was conducted using ultra-high performance quadrupole time flight mass spectrometry/mass spectrometry (UHPLC-QTOF-MS/MS) in negative mode, resulting identification 23 compounds belonging to various classes such as flavonoids, fatty acids, triterpenoid saponins, and phenolic acids. Notably, eight flavonoids including kaempferol-3-O-robinoside-7-O-rhamnoside, isoquercitrin, kaempferol-3-O-rutinoside, apigenin-7-glucoside, kaempeferol-7-O-rhamnoside, luteolin, apigenin, liquiritigenin, along with two acids (4-hydroxycinnamic acid 2-hydroxyhydrocinnamic acid) four saponins (soyasaponin I, soyasaponin II, III, kaikasaponin III) were dereplicated. Additionally, nine derivatives identified, azelaic 2-isopropyl malic acid. Molecular networking analysis revealed formation clusters among while others do not form clusters. Further indicated that GSS exhibited a total content 38.78 ± 1.609 µg gallic equivalent/mg flavonoid 5.62 0.50 rutin equivalent/mg. Biological evaluations showed mitigated gastric tissue injury induced by pyloric ligation, notable reduction oxidative stress marker reactive oxygen species levels inflammatory cytokines interleukin-6 tumor necrosis factor-alpha levels. it enhanced superoxide dismutase inhibitor nuclear factor kappa B alpha levels, lowering expression inducible nitric oxide synthase. Histopathological examination significant improvements morphology GSS-treated groups compared control group. docking studies potential interactions between target proteins involved stress, inflammation, protection gastritis. This study aims investigate gastroprotective activity against gastritis via ligation.

Language: Английский

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