Chemical composition, anticholinesterase activity, and molecular docking studies of Piper crassipes Korth. ex Miq. essential oil

The purpose of this study was to investigate the chemical composition and anticholinesterase inhibitory activity of the essential oil obtained from Piper crassipes leaves collected from Malaysia. Twenty-two components were identified using gas chromatography-flame ionisation detection (GC-FID) and gas chromatography/mass spectrometry (GC-MS), which represent 97.8% of the essential oil. The identified major components included chavibetol (59.8%), chavibetol acetate (10.4%), γ-muurolene (5.4%), and germacrene D (4.6%). Anticholinesterase activity was assessed using Ellman's method. A moderate inhibitory effect was observed for acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) enzymes with IC50 values of 77.2 ± 0.2 and 89.2 ± 0.2 µg/mL, respectively. The molecular docking studies revealed that chavibetol acetate showed potent interactions with the cholinesterase target, while other compounds exhibited varied binding patterns, providing crucial insights into their potential as cholinesterase inhibitors.