Quantitative LC-MS/MS profiling of Onobrychis viciifolia leaf metabolites, antioxidant evaluation, and molecular docking study

Authors : Esma Nur Geçer, İlyas Yıldız, Messaoud Nacer Imene, Süleyman Muhammed Çelik, Belkıs Muca

Pages : 155-163

Doi:10.53445/batd.1814612

View : 61 | Download : 102

Publication Date : 2025-12-30

Article Type : Research Paper

Abstract :The phenolic compounds present in Onobrychis viciifolia are believed to play a significant role in determining its nutritive value and bioactive potential. The phenolic compounds of O. viciifolia leaves were determined quantitatively by LC-MS/MS. Rutin (29932.5 µg/g extract), hesperidin (10703.6 µg/g extract), shikimic acid (210.1 µg/g extract), and coumarin (193.8 µg/g extract) were determined as major compounds. The antioxidant potential of the methanol extract was evaluated using DPPH and ABTS radical scavenging assays. The DPPH radical scavenging activity of O. viciifolia leaf extract exhibited an IC50 value of 14.8 µg/mL, compared to the standard antioxidant BHT, which showed an IC50 value of 11.68 µg/mL. In the ABTS assay, the methanol extract showed vigorous antioxidant activity with an IC50 of 11.34 µg/mL, while BHT had an IC50 of 10.17 µg/mL. The notable antioxidant activity of the O. viciifolia leaf extract can be attributed to the presence of bioactive phenolic compounds within the plant leaves. Molecular docking analysis revealed that shikimic acid exhibited a stable binding affinity (–5.8 kcal/mol) toward the active site of the carboxylesterase 2 (CES2) enzyme. The compound formed strong hydrogen bonds with key residues (Ser139, Asp169, and Val170), suggesting its potential as a natural modulator of CES2 activity.
Keywords : Onobrychis viciifolia, LC-MS/MS analizi, biyoaktif bileşikler, antioksidan aktivite, moleküler kenetlenme

ORIGINAL ARTICLE URL