Research Article

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

Volume: 6 Number: 3 December 30, 2025
TR EN

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

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 analysis, bioactive compounds, antioxidant activity, molecular docking

Supporting Institution

The Scientific Research Unit of Tokat Gaziosmanpaşa University supported (BAP-2025-29).

Thanks

The authors gratefully acknowledge the financial support provided by the Scientific Research Unit of Tokat Gaziosmanpaşa University (BAP-2025-29).

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APA
Geçer, E. N., Yıldız, İ., Imene, M. N., Çelik, S. M., & Muca, B. (2025). Quantitative LC-MS/MS profiling of Onobrychis viciifolia leaf metabolites, antioxidant evaluation, and molecular docking study. Journal of Integrative and Anatolian Medicine, 6(3), 155-163. https://doi.org/10.53445/batd.1814612
AMA
1.Geçer EN, Yıldız İ, Imene MN, Çelik SM, Muca B. Quantitative LC-MS/MS profiling of Onobrychis viciifolia leaf metabolites, antioxidant evaluation, and molecular docking study. J. Integr. Anatol. Med. 2025;6(3):155-163. doi:10.53445/batd.1814612
Chicago
Geçer, Esma Nur, İlyas Yıldız, Messaoud Nacer Imene, Süleyman Muhammed Çelik, and Belkıs Muca. 2025. “Quantitative LC-MS MS Profiling of Onobrychis Viciifolia Leaf Metabolites, Antioxidant Evaluation, and Molecular Docking Study”. Journal of Integrative and Anatolian Medicine 6 (3): 155-63. https://doi.org/10.53445/batd.1814612.
EndNote
Geçer EN, Yıldız İ, Imene MN, Çelik SM, Muca B (December 1, 2025) Quantitative LC-MS/MS profiling of Onobrychis viciifolia leaf metabolites, antioxidant evaluation, and molecular docking study. Journal of Integrative and Anatolian Medicine 6 3 155–163.
IEEE
[1]E. N. Geçer, İ. Yıldız, M. N. Imene, S. M. Çelik, and B. Muca, “Quantitative LC-MS/MS profiling of Onobrychis viciifolia leaf metabolites, antioxidant evaluation, and molecular docking study”, J. Integr. Anatol. Med., vol. 6, no. 3, pp. 155–163, Dec. 2025, doi: 10.53445/batd.1814612.
ISNAD
Geçer, Esma Nur - Yıldız, İlyas - Imene, Messaoud Nacer - Çelik, Süleyman Muhammed - Muca, Belkıs. “Quantitative LC-MS MS Profiling of Onobrychis Viciifolia Leaf Metabolites, Antioxidant Evaluation, and Molecular Docking Study”. Journal of Integrative and Anatolian Medicine 6/3 (December 1, 2025): 155-163. https://doi.org/10.53445/batd.1814612.
JAMA
1.Geçer EN, Yıldız İ, Imene MN, Çelik SM, Muca B. Quantitative LC-MS/MS profiling of Onobrychis viciifolia leaf metabolites, antioxidant evaluation, and molecular docking study. J. Integr. Anatol. Med. 2025;6:155–163.
MLA
Geçer, Esma Nur, et al. “Quantitative LC-MS MS Profiling of Onobrychis Viciifolia Leaf Metabolites, Antioxidant Evaluation, and Molecular Docking Study”. Journal of Integrative and Anatolian Medicine, vol. 6, no. 3, Dec. 2025, pp. 155-63, doi:10.53445/batd.1814612.
Vancouver
1.Esma Nur Geçer, İlyas Yıldız, Messaoud Nacer Imene, Süleyman Muhammed Çelik, Belkıs Muca. Quantitative LC-MS/MS profiling of Onobrychis viciifolia leaf metabolites, antioxidant evaluation, and molecular docking study. J. Integr. Anatol. Med. 2025 Dec. 1;6(3):155-63. doi:10.53445/batd.1814612