Scopus
🔓 Açık Erişim
A thorough exploration of the chemical profile and biological potential of Epilobium parviflorum extracts using HPLC-ESI-Q-TOF-MS technique along with in vitro and in silico analysis
Journal of Agriculture and Food Research · Aralık 2025
Makale Bilgileri
DergiJournal of Agriculture and Food Research
Yayın TarihiAralık 2025
Cilt / Sayfa24
Scopus ID2-s2.0-105018062144
Erişim🔓 Açık Erişim
Özet
Plants within the genus Epilobium (family Onagraceae) have been traditionally utilized to address various health issues such as benign prostate hyperplasia, coughs, and disorders of the kidney and urinary tract. This study aimed to explore the phytochemical composition along with the antioxidant and enzyme inhibitory properties of extracts derived from both the aerial parts and roots of E. parviflorum. The main compounds identified were gallic acid, ellagic acid, ellagitannin, and myricetin-O-deoxyhexoside, which were found in significant quantities in the polar extracts of the aerial parts. These polar extracts demonstrated remarkable antiradical, ions reducing and chelating properties. Conversely, the EtOH extract from the roots showed the greatest inhibition of acetylcholinesterase (2.98 mg galanthamine equivalents (GALAE)/g) and butyrylcholinesterase (3.47 mg GALAE/g). The most effective anti-tyrosinase activity was observed with the 70 % EtOH extract from both parts (69.30 and 65.92 mg kojic acid equivalents (KAE)/g; p ≥ 0.05). The best inhibitory effect on human carbonic anhydrase isoenzymes I and II, was recorded from the EtOH extract of the aerial parts and the EtOAc extract of the root (IC50 31.93 μg/mL). Moreover, molecular docking, 100 ns molecular dynamics (MD) simulations, and MM/GBSA-based binding free energy analyses were conducted to substantiate the multi-target interaction potential of the phytochemicals, unveiling critical residue-level interaction patterns and affirming the thermodynamic favorability of the most stable complexes. These findings underscore the promise of E. parviflorum as a valuable natural source of antioxidants and enzyme inhibitors with potential applications in food, pharmaceutical and cosmetic industries.
Yazarlar (8)
1
Sakina Yagi
2
Mehmet Veysi Cetiz
ORCID: 0000-0002-2635-6553
3
Gokhan Zengin
ORCID: 0000-0001-6548-7823
4
E. J. Llorent-Martínez
5
Evren Yildiztugay
ORCID: 0000-0002-4675-2027
6
Zeynep Bingol
7
Gülçin
8
Stefano Dall'Acqua
Anahtar Kelimeler
Antioxidant
Enzyme inhibition
Epilobium parviflorum
Molecular docking
Molecular dynamics
Phytoconstituents
Kurumlar
Atatürk Üniversitesi
Erzurum Turkey
Harran University, Faculty of Medicine
Sanliurfa Turkey
Khartoum University
Khartoum Sudan
Selçuk Üniversitesi
Selçuklu Turkey
Universidad de Jaén
Jaen Spain
Università degli Studi di Padova
Padua Italy