In silico Study of Secondary Metabolites from the Leaves of Rumex acetosa against Proteins associated with Inflammatory and Alzheimer

Abstract

Alzheimer's disease (AD) is a neurodegenerative disorder characterized by the accumulation of amyloid-beta (Aβ) peptides and hyperphosphorylated tau proteins, leading to neuronal loss and cognitive decline. The development of effective therapeutic interventions for AD remains a significant challenge. In this study, we performed an in-silico investigation to explore the potential of secondary metabolites derived from the leaves of Rumex acetosa as potential inhibitors of key proteins involved in
AD pathogenesis. We first identified and characterized the major secondary metabolites present in sorrel leaves through a comprehensive literature review. Using molecular docking, we then evaluated
the binding interactions between these phytochemicals and well-known AD-associated targets, including Aβ, tau protein, and acetylcholinesterase (AChE). The binding affinities, interaction patterns, and pharmacokinetic properties of the top-performing compounds were analyzed to assess their
potential as drug candidates. Our results suggest that several sorrel leaf-derived secondary metabolites, such as rutin, quercetin, and kaempferol, exhibit promising binding interactions and favorable pharmacokinetic profiles against the studied AD targets. These findings provide valuable insights into the therapeutic potential of sorrel leaf extracts and highlight the need for further in-vitro and in-vivo validation to establish their efficacy in the treatment of Alzheimer's disease.