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Neurodegenerative diseases (NDs) including Alzheimer's disease, Parkinson's disease, amyotrophic lateral sclerosis, and Huntington's disease are incurable and affect millions of people worldwide. The development of treatments for this unmet clinical need is a major global research challenge. Computer-aided drug design (CADD) methods minimize the huge number of ligands that could be screened in biological assays, reducing the cost, time, and effort required to develop new drugs. In this review, we provide an introduction to CADD and examine the progress in applying CADD and other molecular docking studies to NDs. We provide an updated overview of potential therapeutic targets for various NDs and discuss some of the advantages and disadvantages of these tools.

Original publication

DOI

10.3390/ijms22094688

Type

Journal article

Journal

Int J Mol Sci

Publication Date

28/04/2021

Volume

22

Keywords

Alzheimer’s disease, CADD, CNS disorders, Huntington’s disease, Parkinson’s disease, amyotrophic lateral sclerosis, brain diseases, dementia, drug discovery, neurodegeneration