Title:Challenges and Discoveries in Polypharmacology of Neurodegenerative
Diseases
Volume: 23
Issue: 5
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*
Affiliation:
- Health Science Center, Federal University of Paraíba, 50670-910, João Pessoa, PB, Brazil
- Teaching and Research Management-University Hospital, Federal University of Paraíba, João Pessoa, PB, Brazil
Keywords:
In silico, Polypharmacology, Neurodegenerative disease, Docking, Drug target, Neurological disorders.
Abstract:
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.
