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Type :Article
Subject :Q Science (General)
ISSN :1478-6419
Main Author :Wan Mohd Nuzul Hakimi Wan Salleh
Title :Chemical composition, acetylcholinesterase inhibition and molecular docking studies of essential oil from Knema hookeriana Warb. (Myristicaceae)
Hits :115
Place of Production :Tanjung Malim
Publisher :Fakulti Sains dan Matematik
Year of Publication :2023
Notes :Natural Product Research
Corporate Name :Universiti Pendidikan Sultan Idris
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Abstract : Universiti Pendidikan Sultan Idris
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 ?-caryophyllene (26.2%), germacrene D (12.5%), ?-cadinene (9.2%), germacrene B (8.8%) and bicyclogermacrene (5.5%). The essential oil showed acetylcholinesterase activity with IC50 value of 70.5 g/mL. The enzyme-ligand molecular docking study showed that ?-caryophyllene and ?-cadinene exhibited good binding affinities towards AChE with docking scores ?8.1 kcal/mol and ?8.3 kcal/mol, respectively. 2023 Informa UK Limited, trading as Taylor & Francis Group.

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