Chemical profiling By LC HRMS, antioxidant potential, enzyme inhibition, molecular docking and molecular dynamics simulations of Acantholimon acerosum
Yazarlar (7)
Ahmet Buğra Ortaakarsu
Gazi Üniversitesi, Türkiye
Gazi Üniversitesi, Türkiye
Dr. Öğr. Üyesi Zeynebe BİNGÖL Tokat Gaziosmanpaşa Üniversitesi, Türkiye
Adem Ertürk Atatürk Üniversitesi, Türkiye
Ahmet Ceyhan Gören Gebze Teknik Üniversitesi, Türkiye
Süleyman Mesut Pınar Van Yüzüncü Yıl Üniversitesi, Türkiye
İhami Gülçin
Atatürk Üniversitesi, Türkiye
Atatürk Üniversitesi, Türkiye
Hatice Kızıltaş Van Yüzüncü Yıl Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Journal of Molecular Structure (Q2) | ||
| Dergi ISSN | 0022-2860 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 02-2025 |
| Cilt / Sayı / Sayfa | 1321 / 1 / 1–15 | DOI | 10.1016/j.molstruc.2024.140124 |
| Makale Linki | https://doi.org/10.1016/j.molstruc.2024.140124 | ||
| Özet |
| The principal objective of this study is to evaluate phenolic content and biological activity in vitro and silico properties of A. acerosum (Willd.) Boiss. subsp. acerosum's (A. acerosum). The antioxidant activity of A. acerosum was assessed in a variety of bioanalytical methods. Strong antioxidant activity was shown for both water (WEAA) and ethanol (EEAA) extracts of the aerial parts of A. Acerosum. Also, it was shown that hyperoside is the most prevalent phenolic compound in EEAA (12,940.83 mg kg−1) and WEAA (5409.67 mg kg−1) by LC[sbnd]HRMS. The enzyme inhibitory abilities of the EEAA were then realised. The IC50 values of EEAA against acetylcholinesterase (AChE) (E.C.3.1.1.7), α-glycosidase (E.C.3.2.1.20), and α-amylase (E.C.3.2.1.1) were determined as 1.828 μg mL−1, 0.615 μg mL−1, and 1.081 μg mL−1, respectively. Subsequently, the α-amylase, α-glycosidase, and AChE enzymes were subjected to molecular docking and molecular dynamic interactions using major compounds of EEAA as ligands. High enzyme-inhibiting properties of EEAA were also determined in silico. It has been reported that numerous traditional and contemporary medical applications of A. acerosum. It can be said that the effective antioxidant results obtained in our study are the basis of previously performed traditional or contemporary medical practices. |
| Anahtar Kelimeler |
| A. Acerosum | Antioxidant activity | Enzyme inhibition | Molecular docking | Molecular dynamics |
Science Direct
Chemical profiling By LC HRMS, antioxidant potential, enzyme inhibition, molecular docking and molecular dynamics simulations of Acantholimon acerosum
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| WoS | 11 |
| SCOPUS | 13 |
| Google Scholar | 12 |