In vitro anti-Alzheimer’s potential ofPennisetum purpureum: Phytochemicalprofiling, AChE inhibition, and moleculardocking analysis

Abstract

Aim and Objectives: The present study aimed to evaluate the phytochemical composition and in vitro anti-Alzheimer’s potential of the Hydroalcoholic extract of Pennisetum purpureum (HAEPP), focusing on its
acetylcholinesterase (AChE) inhibitory activity and identification of key bioactive compounds for possible therapeutic development. Materials and Methods: HAEPP was subjected to preliminary phytochemical screening
to identify major secondary metabolites. In vitro AChE inhibition was assessed using Ellman’s colorimetric method, and the IC50 value was determined. Gas chromatography-mass spectrometry (GC-MS) was employed to analyze the chemical constituents of the extract. Molecular docking studies were conducted to evaluate the binding interaction
between glaucine (identified from GC-MS) and AChE. Results and Discussion: Phytochemical screening of the HAEPP confirmed the presence of alkaloids, flavonoids, tannins, saponins, terpenoids, and phenols. HAEPP showed dose-dependent AChE inhibitory activity with an IC50 of 32.35 ?g/mL, compared to Donepezil (12.43 ?g/mL). GC-MS analysis identified 22 bioactive compounds, with glaucine as a major alkaloid. Molecular docking revealed that glaucine binds effectively to AChE (binding energy: ?9.08 kcal/mol; Ki: 220.04 nM), interacting with key residues, such as TRP86, TYR337, SER293, and ASP74. These findings highlight the neuroprotective potential of HAEPP, with glaucine emerging as a promising candidate for Alzheimer’s therapy.