Article detail · 2025
Bioactive phenolic contents of Scorzonera ketzkhowelii Sosn. ex Grossh. (Asteraceae) with comprehensive in vitro and in silico studies
- Year
- 2025
- Type
- article
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- YÖKSİS YÖKSİS article record
- YÖKSİS venue Journal of Molecular Structure
- Catalog match (ISSN) Journal of Molecular Structure
- OpenAlex OpenAlex enrichment (abstract, citations, topics)
Abstract
OpenAlex · English
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.
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10 citations
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11 publications in the local catalog that cite this work (OpenAlex reference match; not the full global list).
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