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Chemical composition, acetylcholinesterase inhibition and molecular docking studies of essential oil from Knema hookeriana Warb. (Myristicaceae).
- Source :
-
Natural product research [Nat Prod Res] 2024 Jul; Vol. 38 (14), pp. 2516-2521. Date of Electronic Publication: 2023 Feb 28. - Publication Year :
- 2024
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Abstract
- The genus Knema Lour. is distributed mainly in Southeast Asian and widely used in folk medicine for treating diseases such as jaundice, chronic fever, and inflammation. The chemical composition, acetylcholinesterase inhibition, and molecular docking studies of essential oil from Knema hookeriana Warb. were investigated in this study. The essential oil was achieved through hydrodistillation and was characterised using gas chromatography (GC-FID) and gas chromatography-mass spectrometry (GC-MS). The acetylcholinesterase inhibitory activity was evaluated using Ellman method while molecular docking studies were carried out using Autodock v.4.3.2. The results revealed that the essential oil examined consisted mainly of β-caryophyllene (26.2%), germacrene D (12.5%), δ-cadinene (9.2%), germacrene B (8.8%) and bicyclogermacrene (5.5%). The essential oil showed acetylcholinesterase activity with IC <subscript>50</subscript> value of 70.5 µg/mL. The enzyme-ligand molecular docking study showed that β-caryophyllene and δ-cadinene exhibited good binding affinities towards AChE with docking scores -8.1 kcal/mol and -8.3 kcal/mol, respectively.
- Subjects :
- Sesquiterpenes chemistry
Sesquiterpenes pharmacology
Gas Chromatography-Mass Spectrometry
Sesquiterpenes, Germacrane chemistry
Oils, Volatile chemistry
Oils, Volatile pharmacology
Molecular Docking Simulation
Cholinesterase Inhibitors chemistry
Cholinesterase Inhibitors pharmacology
Acetylcholinesterase drug effects
Acetylcholinesterase metabolism
Polycyclic Sesquiterpenes chemistry
Myristicaceae chemistry
Subjects
Details
- Language :
- English
- ISSN :
- 1478-6427
- Volume :
- 38
- Issue :
- 14
- Database :
- MEDLINE
- Journal :
- Natural product research
- Publication Type :
- Academic Journal
- Accession number :
- 36855270
- Full Text :
- https://doi.org/10.1080/14786419.2023.2184359