Onobrychis viciifolia yaprak metabolitlerinin kantitatif LC-MS/MS profili, antioksidan değerlendirmesi ve moleküler kenetlenme çalışması

Yıl 2025, Cilt: 6 Sayı: 3, 155 - 163, 30.12.2025

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

https://doi.org/10.53445/batd.1814612

https://izlik.org/JA45WL39NX

Öz

Onobrychis viciifolia’da bulunan fenolik bileşiklerin, besin değerini ve biyoaktif potansiyelini belirlemede önemli bir rol oynadığı bilinmektedir. O. viciifolia yapraklarının fenolik bileşikleri LC-MS/MS ile kantitatif olarak belirlenmiştir. Rutin (29932,5 µg/g özüt), hesperidin (10703,6 µg/g özüt), şikimik asit (210,1 µg/g özüt) ve kumarin (193,8 µg/g özüt) başlıca bileşikler olarak belirlenmiştir. Metanol özütünün antioksidan potansiyeli, DPPH ve ABTS radikal giderici analizleri kullanılarak değerlendirilmiştir. O. viciifolia yaprak özütünün DPPH radikal temizleme aktivitesi, 14,8 µg/mL’lik bir IC50 değeri sergilerken, standart antioksidan BHT’nin IC50 değeri 11,68 µg/mL olarak bulunmuştur. ABTS deneyinde, metanol özütü 11,34 µg/mL’lik bir IC50 değeriyle güçlü bir antioksidan aktivite sergilerken, BHT 10,17 µg/mL’lik bir IC50 değeri sergilemiştir. O. viciifolia yaprak özütünün dikkate değer antioksidan aktivitesi, bitki yapraklarındaki biyoaktif fenolik bileşiklerin varlığına bağlanabilir. Moleküler kenetlenme analizi, şikimik asidin karboksilesteraz 2 (CES2) enziminin aktif bölgesine karşı kararlı bir bağlanma afinitesi (–5,8 kcal/mol) sergilediğini ortaya koymuştur. Bileşik, anahtar kalıntılarla (Ser139, Asp169 ve Val170) güçlü hidrojen bağları oluşturmuş, bu da CES2 aktivitesinin doğal bir modülatörü olarak potansiyelini ortaya koymuştur.

Anahtar Kelimeler

Onobrychis viciifolia , LC-MS/MS analizi , biyoaktif bileşikler , antioksidan aktivite , moleküler kenetlenme

Destekleyen Kurum

Tokat Gaziosmanpaşa Üniversitesi Bilimsel Araştırma Projeleri Birimi tarafından desteklenmiştir (BAP-2025-29).

Teşekkür

Yazarlar, sağladığı mali destek için Tokat Gaziosmanpaşa Üniversitesi Bilimsel Araştırma Projeleri Birimi’ne (BAP-2025-29) içtenlikle teşekkür etmektedir.

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

https://izlik.org/JA45WL39NX

Öz

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.

Anahtar Kelimeler

Onobrychis viciifolia , LC-MS/MS analysis , bioactive compounds , antioxidant activity , molecular docking

Destekleyen Kurum

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

Teşekkür

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

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