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Current Topics in Medicinal Chemistry


ISSN (Print): 1568-0266
ISSN (Online): 1873-4294

Review Article

Challenges and Discoveries in Polypharmacology of Neurodegenerative Diseases

Author(s): Teresa Carolliny Moreira Lustoza Rodrigues, Natália Ferreira de Sousa, Aline Matilde Ferreira dos Santos, Renan Dantas Aires Guimarães, Marcus Tullius Scotti and Luciana Scotti*

Volume 23, Issue 5, 2023

Published on: 14 February, 2023

Page: [349 - 370] Pages: 22

DOI: 10.2174/1568026623666230126112628

Price: $65


Background: Neurological disorders are composed of several diseases that affect the central and peripheral nervous system; among these are neurodegenerative diseases, which lead to neuronal death. Many of these diseases have treatment for the disease and symptoms, leading patients to use several drugs that cause side effects.

Introduction: The search for new treatments has led to the investigation of multi-target drugs.

Methods: This review aimed to investigate in the literature the multi-target effect in neurological disorders through an in silico approach. Studies were reviewed on the diseases such as epilepsy, Alzheimer's disease, Amyotrophic Lateral Sclerosis (ALS), Huntington's disease, cerebral ischemia, and Parkinson's disease.

Results: As a result, the study emphasize the relevance of research by computational techniques such as quantitative structure-activity relationship (QSAR) prediction models, pharmacokinetic prediction models, molecular docking, and molecular dynamics, besides presenting possible drug candidates with multi-target activity.

Conclusion: It was possible to identify several targets with pharmacological activities. Some of these targets had diseases in common such as carbonic anhydrase, acetylcholinesterase, NMDA, and MAO being relevant for possible multi-target approaches.

Keywords: In silico, Polypharmacology, Neurodegenerative disease, Docking, Drug target, Neurological disorders.

Graphical Abstract
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