Fruit extracts of Rosa canina L. and Rosa pimpinellifolia L.: Phytochemical profiles, in vitro antioxidant, anti-inflammatory, xanthine oxidase inhibitory effects, and in silico molecular dynamics studies

Yunus Başar; Semiha Yenigün; Mehmet Hakkı Alma; İbrahim Demirtas; Tevfik Ozen

doi:10.18016/ksutarimdoga.vi.1639294

TR EN

Rosa canina ve Rosa pimpinellifolia meyve özütleri: Fitokimyasal profilleri, in vitro antioksidan, anti-inflamatuar, ksantin oksidaz inhibitör etkileri ve in silico moleküler dinamik çalışmaları

Öz

Bu çalışmada, Rosa canina (RC) ve R. pimpinellifolia (RP) meyve metanol özütlerinin fitokimyasal ve biyolojik aktiviteleri araştırılmıştır. HPLC'de, RP ve RC özütleri ana bileşenler olarak büyük miktarlarda askorbik asit ve gallik asit içermektedir. GC-MS/MS'de, her özütte en yüksek miktarlarda oleik asit, linoleik asit ve palmitik asit metil esteri bulunmuştur. RP ve RC'nin toplam fenol içerikleri sırasıyla 17.28±0.10 ve 5.19±0,22 mg GAE/g özüt olarak bulunmuştur. Özütlerin DPPH˙ süpürücü aktivitesinin (RC için 13.45±0.21 µg/mL ve RP için 3.41±0.05 µg/mL), askorbik asitten (42.15±1.35 µg/mL) daha yüksek olduğu gözlenmiştir. RC ve askorbik asidin indirgeyici güç kapasiteleri sırasıyla 55,57±3,23 ve 87,24±2,44 µg/mL olarak bulundu. BSA denatürasyon deneyine göre, RP'nin anti-inflamatuar etkisinin DFS ile düşük dozlarda daha etkili olduğu ve yüksek dozlardaki etkiye benzer olduğu bulundu. RC özütü, 2,28±0,25 µg/mL'lik IC50 değeri ile yüksek ksantin oksidaz (XO) inhibisyonu gösterdi. Askorbik ve gallik asidin XO ile bağlanma afiniteleri sırasıyla -6,20 ve -6,60 kcal/mol olarak belirlendi. Ayrıca, komplekslerin moleküler dinamik simülasyonları 100 ns boyunca uygulandı ve kararlı oldukları gözlendi. Bağlanma enerjileri MM/PBSA yapılarak belirlendi ve gallik asidin yüksek değerinin -21,50 kcal/mol olarak bulunduğu kaydedildi. Bu şekilde iki farklı kuşburnu türünün fitokimyasal bileşenleri ve biyolojik aktiviteleri karşılaştırılmış ve gıda, kozmetik ve ilaç gibi alanlarda kullanımına yönelik fikirler sunulmuştur.

Anahtar Kelimeler

Fruit extracts of Rosa canina L. and Rosa pimpinellifolia L.: Phytochemical profiles, in vitro antioxidant, anti-inflammatory, xanthine oxidase inhibitory effects, and in silico molecular dynamics studies

Abstract

In this study, the phytochemical and biological activities of Rosa canina (RC) and R. pimpinellifolia (RP) fruit methanol extracts were investigated. HPLC analysis revealed that RP and RC extracts contained high amounts of ascorbic acid and gallic acid as the major components. In GC-MS/MS analysis, oleic acid, linoleic acid, and palmitic acid methyl ester were the most abundant compounds in both extracts. The total phenolic contents of RP and RC were 17.28±0.10 and 5.19±0,22 mg GAE/g extract, respectively. DPPH˙ scavenging activities of the extracts (13.45±0.21 µg/mL for RC and 3.41±0.05 µg/mL for RP) were observed to be higher than ascorbic acid (42.15±1.35 µg/mL). The reducing power capacities of RC and ascorbic acid were 55.57±3.23 and 87.24±2.44 µg/mL, respectively. According to the BSA denaturation assay, the anti-inflammatory effect of RP was found to be more effective at low doses with DFS and similar to the effect at high doses. RC extract showed high xanthine oxidase (XO) inhibition with an IC50 value of 2.28±0.25 µg/mL. The binding affinities of ascorbic and gallic acid with XO were determined as 6.20 and 6.60 kcal/mol, respectively. In addition, molecular dynamics simulations of the complexes were applied for 100 ns and observed to be stable. Binding energies were determined by performing MM/PBSA, and it was recorded that a high level of gallic acid was found at 21.50 kcal/mol. In this way, the phytochemical constituents and biological activities of two different rosehip species were compared, and ideas for their use in food, cosmetics, and medicine were presented.

Keywords

Supporting Institution

Ondokuz Mayis University Iğdır University

Project Number

BAP01-2024-4682 ..... YİP0723İ01

Ethical Statement

yok

Thanks

Ondokuz Mayis University Iğdır University

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Details

Primary Language

English

Subjects

Pharmaceutical Botany

Journal Section

Research Article

Authors

Yunus Başar
0000-0002-7785-3242
Türkiye

Semiha Yenigün
0000-0002-1979-5427
Türkiye

Mehmet Hakkı Alma
0000-0001-6323-7230
Türkiye

İbrahim Demirtas
0000-0001-8946-647X
Türkiye

Tevfik Ozen ^*
0000-0003-0133-5630
Türkiye

Early Pub Date

May 1, 2025

Publication Date

June 9, 2025

Submission Date

February 13, 2025

Acceptance Date

April 11, 2025

Published in Issue

Year 1970 Volume: 28 Number: 3

DOI

https://doi.org/10.18016/ksutarimdoga.vi.1639294

IZ

https://izlik.org/JA47UK93NK

Cite

RIS / Bibtex

APA

Başar, Y., Yenigün, S., Alma, M. H., Demirtas, İ., & Ozen, T. (2025). Fruit extracts of Rosa canina L. and Rosa pimpinellifolia L.: Phytochemical profiles, in vitro antioxidant, anti-inflammatory, xanthine oxidase inhibitory effects, and in silico molecular dynamics studies. Kahramanmaraş Sütçü İmam Üniversitesi Tarım Ve Doğa Dergisi, 28(3), 636-649. https://doi.org/10.18016/ksutarimdoga.vi.1639294