In silico approach in treatment of alzheimer disease of apolipoprotein e4 inhibitor discovery

Resumen

A significant genetic risk factor for Alzheimer's disease is the presence of apolipoprotein E4 (Apoe) (AD). Maintaining a steady supply of neuronal lipids for quick and dynamic membrane production is essential for brain function. The development of beta amyloid plaques (A) and neurofibrillary tangles in the brain is what causes AD. The goal of the current research is to foresee a treatment against excessive apoE4 activity. The current investigation included 22 natural chemicals, including marine, microbial, and plant derivatives.These substances were utilized as inhibitors to block the action of the apoE4 protein. Six synthetic compounds were also docked with the target protein in order to compare and evaluate the outcomes with natural chemicals.Teleglobe, a synthetic chemical, exhibited the highest binding affinity for the target protein but did not exhibit hydrogen bonding with any of the amino acid residues. Moreover, a natural substance called Digitoxin digitoxoside had the highest binding affinity while failing to form hydrogen bonds with any amino acid residue.Based on binding affinity and hydrogen bonding to decrease AD development, our investigation identified digitoxin digit oxide as a possible lead chemical.