ABSTRACT
Alzheimer’s disease (AD) is a neurodegenerative disorder that progresses over time, resulting in memory loss, cognitive decline, and alterations in behaviour and personality. The aforementioned condition is the prevailing aetiology of cognitive decline in elderly individuals and is anticipated to impact in excess of 100 million individuals by the year 2050. AD is a multifaceted condition that involves various causative factors and potential risk elements. Its aetiology remains uncertain, but it is hypothesized to result from a multifactorial interplay between genetic, environmental, and lifestyle determinants. The principal pathological characteristics of AD are the emergence of extracellular senile plaques that comprise amyloid-β peptide (Aβ) and intracellular neurofibrillary tangles that are composed of hyperphosphorylated tau proteins. At present, there exists no definitive remedy for AD, and the therapeutic interventions that are currently available are primarily aimed at alleviating symptoms, with their efficacy being constrained. Acetylcholinesterase inhibitors and NMDA receptor antagonists are the primary pharmacological agents utilized in the treatment of Alzheimer’s disease. These drugs are designed to enhance cognitive function by augmenting acetylcholine levels and regulating glutamatergic neurotransmission, respectively. Although these medications have some moderate success, they do not address the underlying pathology of Alzheimer’s illness. The possibility of natural products as therapeutics for AD has garnered considerable attention in recent years. Natural products, which are sourced from plants, animals, and microorganisms, have been utilized in traditional medicine for centuries. These compounds exhibit a broad spectrum of biological activities and represent a plentiful reservoir of structurally heterogeneous molecules. Using natural compounds to treat AD has the potential to address the illness’s underlying pathophysiology and provide innovative therapy strategies. The application of computational techniques, such as molecular docking and molecular dynamics simulations, presents a logical strategy for the identification of natural compounds that may selectively interact with particular proteins linked to AD, such as Aβ and tau; such methods can also offer a valuable understanding of the mechanism of action of these compounds. Furthermore, in silico investigations can be employed to detect potential adverse reactions and toxicity of botanical substances. It is imperative to acknowledge that the in silico investigations necessitate experimental validation prior to any potential therapeutic application.
