Chemical profile, anticholinesterase and molecular docking studies of Boesenbergia albosanguinea (Ridl.) Loes. essential oil

Wan Mohd Nuzul Hakimi W Salleh

Abstract

Boesenbergia albosanguinea is a member of the genus Boesenbergia, which traditionally serves a range of purposes, including food, medicinal applications, ornamental use, and ritualistic practices. It is found growing in wet, shady forest areas on sandstone or quartz-derived soils. This study aims to characterize the essential oils from the rhizomes of B. albosanguinea, assessing their activity against acetylcholinesterase using in vitro methods, along with molecular docking analysis. The essential oil was obtained through hydrodistillation and the volatile components were analysed using gas chromatography (GC-FID) and gas chromatography mass spectrometry (GC-MS) techniques. A total of 34 chemical components, which constitute 96.7% of the oil content, were successfully identified. The most abundant components were elemicin (44.0%), _-gurjunene (9.3%), _-caryophyllene (4.5%), and safrole (4.1%). Anticholinesterase activity was assessed using Ellman method. A moderate inhibitory effect was observed for acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) enzymes with IC50 values of 90.5 _ 0.2 and 110.8 _ 0.2 _g/mL, respectively. The molecular docking studies of elemicin against the cholinesterase target revealed a robust docking score (-7.0 kcal/mol), but it also showed important interactions with some key amino acid residues, providing crucial insights into its potential as a cholinesterase inhibitor. _ 2024 Har Krishan Bhalla & Sons.

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