In Silico Screening and Identification of Phytoconstituents for Alzheimer's Disease

Cognitive decline and neuronal degradation are hallmarks of Alzheimer's disease (AD), a progressive neurodegenerative illness. There are currently few therapy options for the buildup of tau tangles and amyloid-beta plaques, which are important pathological hallmarks. Through antioxidant, anti-inflammatory, and neuroprotective processes, phytoconstituent; bioactive substances derived from plants—have demonstrated promising role in slowing the course of AD. The current research work is about Identification of natural components useful in Alzheimer’s disease. Using in silico techniques. Swiss Dock was used for molecular docking investigations. The various steps included analysis of the binding affinities of specific phytoconstituent with important AD targets, such as tau protein, beta-secretase (BACE1), amyloid-beta, and acetylcholinesterase (Ache), using Auto Dock and Glide software. According to the findings, natural substances like Quercetin, Resveratrol, and Curcumin showed potent binding interactions with AD-related targets, indicating natural inhibitory properties. Docking scores were used to evaluate binding affinities, and interaction analysis showed strong hydrophobic and hydrogen bonding interactions. Further, in vitro and in vivo validation is needed. The study emphasizes how computational screening can speed up the process of finding new drugs for neurodegenerative illnesses.