Bioactive Phenolic Contents of Scorzonera ketzkhowelii Sosn. ex Grossh. (Asteraceae) with Comprehensive In vitro and In silico Studies
Yazarlar (6)
Dr. Öğr. Üyesi Fatma GÖÇ
Bezm-İ Âlem Vakıf Üniversitesi
İstanbul Üniversitesi, Türkiye
Bezm-İ Âlem Vakıf Üniversitesi, Türkiye
Türkiye
Recep Tayyip Erdoğan Üniversitesi, Türkiye
Karadeniz Teknik Üniversitesi, Türkiye
| Makale Türü | Özgün Makale |
| Makale Alt Türü | SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale |
| Dergi Adı | Journal of Molecular Structure |
| Dergi ISSN | 0022-2860 Wos Dergi Scopus Dergi |
| Dergi Tarandığı Indeksler | SCI-Expanded |
| Dergi Grubu | Q2 |
| Makale Dili | İngilizce |
| Basım Tarihi | 10-2024 |
| Cilt No | 1322 |
| Sayı | 2 |
| DOI Numarası | 10.1016/j.molstruc.2024.140436 |
| Makale Linki | https://doi.org/10.1016/j.molstruc.2024.140436 |
| Özet |
| This study explores the antioxidant, anti-inflammatory, and anticholinesterase properties of extracts from the natural plant Scorzonera ketzkhowelii for the first time. Additionally, it focuses on isolating phenolic compounds from the ethyl acetate sub-extract, elucidating their structures, and investigating their in-silico bioactivities. Twelve phenolic compounds were isolated and characterized from the ethyl acetate sub-extracts, including hydrangenol (1), 4-hydroxybenzaldehyde (2), luteolin (3), esculin (4), 3-O-caffeoylquinic acid ethyl ester (5), 3-O-caffeoylquinic acid methyl ester (6), kaempferol 3-O-β-glucopyranoside (7), quercetin 3-O-α-arabinopyranoside (8), 3,5-di-O-caffeoylquinic acid ethyl ester (9), thunberginol F 7-O-β-D-glucopyranoside (10), hydrangeic acid 4′-O-β-D-glucopyranoside (11), and 3-O-caffeoylquinic acid (12). The ethyl acetate sub-extracts from both aerial and subaerial parts demonstrated exceptional radical scavenging activity. Moreover, all fractions exhibited potent inhibition against COX-I and COX-II enzymes, with notable inhibitory effects observed in the ethyl acetate and dichloromethane sub-extracts against AChE. Additionally, the inhibitory effects of these compounds were assessed against various biological targets, including TNFα, COX-I, COX-II, human CYP450, and hAChE, through molecular docking studies. According to the molecular docking and dynamics studies, compound 9 emerged as particularly noteworthy across all complexes, exhibiting stable binding modes and promising interactions with key residues involved in inhibition. |
| Anahtar Kelimeler |
| Scorzonera ketzkhowelii, Molecular docking, Phenolic compounds, Biological activities, Structure elucidation |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| WoS | 8 |