Identifying Potential Bace-1 Enzyme Inhibitors /Lead Small Molecules: Relevance to Alzheimer's Diseases

It is unclear what causes Alzheimer's disease. However, genetic data support the amyloid hypothesis, which states that abnormal beta-amyloid protein aggregation initiates the illness process. There is a lengthy pre-clinical stage of Alzheimer's disease. The terrible consequences of amyloidogenic diseases like Alzheimer's. More than 7000 tiny molecules have been screened from ZINC subsets and exposed to 165 compounds and 16. From a research perspective, I have examined numerous databases like the ZINC Subset, PubChem compound database, and Drug bank database. For docking investigations, these processed molecules were employed. The docking study enabled us to locate a small number of compounds with good inhibitory interactions with the protein, i.e., chemicals that impede the protein's function. These final compounds underwent drug-likeness testing and methods for ADME descriptor validation. These substances or molecules may help develop potent medications to treat Alzheimer's. To determine which protein had the lowest energy conformation and was, therefore, the most stable, a molecular dynamic of the protein was run.