Strategies for Structure Based Drug Design by Docking for Different Therapeutic Targets in Drug Discovery for Alzheimer's Disease
Posted: 7 Feb 2020
Date Written: February 6, 2020
Alzheimer’s disease (AD) is a neurodegenerative disorder affecting the neurons present in the brain. Clinical symptoms in patients afflicted by AD are dementia along with decline in the thinking skills as well as a decrease in the ability to understand and assimilate routine day-to-day tasks and activities. The pathophysiology of AD is not clearly known, but amyloid beta (Aβ) hypothesis is considered central to be causative in AD. This hypothesis states that AD is mainly caused due to the aggregation of the Aβ plaques. Other hypotheses have also been proposed to be playing a causative role in AD including over-expression of acetylcholinesterase (AChE), the presence of neurofibrillary tangles (NFTs), involvement of NMDA receptors and antioxidant mechanisms, alongside few other recently postulated targets in the brain. Docking has proved to be efficacious due to its rapidity and accuracy in drug discovery and has been widely used in the drug discovery strategies for AD. Various docking softwares have been used to determine the potential ligands for targeting AChE, Aβ peptides, NFTs as well as other potential targets for AD therapy like monoamine oxidases (MAO), β-site APP cleaving enzyme 1 (BACE1), γ-secretases, and N-Methyl-D-aspartate (NMDA) receptor. This poster focuses on the different docking strategies and techniques utilizing different docking softwares used in the drug design and discovery of therapeutics for AD.
Keywords: Alzheimer's disease, drug design, drug discovery, therapeutics, docking, AChE, Aβ peptide, NFT, MAO, BACE1, NMDA
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