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Abstract Erythrina crista-galli is a plant species among the genus Erythrina known for their wide range if phytochemicals, particularly alkaloids and flavonoids. These phytochemicals may play potential role as antioxidant and anti-cholinesterase agents for Alzheimer’s Disease (AD) treatments. This study aimed to study the metabolite profile, antioxidant and anticholinesterase activity of E. crista-galli flower through in vitro and in silico studies. Metabolite profiling was conducted using UPLC-MS/MS analysis, the antioxidant activity was evaluated using DPPH, ABTS, and FRAP assay, while anticholinesterase activity was evaluated using acetylcholinesterase (AChE) activity colorimetric assay, and in silico studies were conducted using both molecular docking and molecular dynamics simulation. The methanol extract from E. crista-galli flowers was evaluated for antioxidant activity using the DPPH, ABTS and FRAP assay, showing moderate free radical scavenging activity with IC 50 of 153.6 ± 2.4 μg/ml in DPPH and 255.7 ± 14.9 μg/ml in ABTS assay, while 25.4 ± 1.8 mgQE/g extract in FRAP assay. The methanol extract inhibited 17.65 ± 1.28% of the AChE activity in the concentration of 50 μg/ml. Metabolite profiling via LC-MS/MS analysis revealed the presence of 16 erythrina alkaloids and 5 flavonoids in the methanol extract of E. crista-galli flower. Molecular docking and molecular dynamics simulations demonstrated the potency of these secondary metabolites, particularly vicenin-2 and vitexin as AChE inhibitors. This study highlights the role of E. crista-galli flowers as natural source of phytochemicals particularly alkaloids and flavonoids with potential antioxidant and anti-cholinesterase activity.
Akili et al. (Mon,) studied this question.