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Advances in Applying Computer-Aided Drug Design for Neurodegenerative Diseases.

ABSTRACT: 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.

SUBMITTER: Salman MM

PROVIDER: S-EPMC8124449 | biostudies-literature | 2021 Apr

REPOSITORIES: biostudies-literature

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Advances in Applying Computer-Aided Drug Design for Neurodegenerative Diseases.

Salman Mootaz M MM Al-Obaidi Zaid Z Kitchen Philip P Loreto Andrea A Bill Roslyn M RM Wade-Martins Richard R

International journal of molecular sciences 20210428 9

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, w ...[more]

PMID: 33925236

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