Table of Contents Author Guidelines Submit a Manuscript
Oxidative Medicine and Cellular Longevity
Volume 2018, Article ID 7912765, 21 pages
Research Article

Computational Studies Applied to Flavonoids against Alzheimer’s and Parkinson’s Diseases

1Postgraduate Program in Natural and Synthetic Bioactive Products, Federal University of Paraíba, João Pessoa, PB, Brazil
2In Silico Research Laboratory, Eminent Bioscience, Inodre - 452010, Madhya Pradesh, India
3Bioinformatics Research Laboratory, LeGene Biosciences, Indore - 452010, Madhya Pradesh, India
4Department of Organic Chemistry, Faculty of Science, University of Yaounde I, PO Box 812, Yaoundé, Cameroon
5Laboratory of Synthesis and Drug Delivery, Department of Biological Science, State University of Paraiba, João Pessoa, PB, Brazil
6Teaching and Research Management-University Hospital, Federal University of Paraíba, João Pessoa, PB, Brazil

Correspondence should be addressed to Luciana Scotti; moc.liamg@ittocs.anaicul

Received 5 October 2018; Revised 12 November 2018; Accepted 14 November 2018; Published 30 December 2018

Academic Editor: Alin Ciobica

Copyright © 2018 Alex France M. Monteiro et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.


Neurodegenerative diseases, such as Parkinson’s and Alzheimer’s, are understood as occurring through genetic, cellular, and multifactor pathophysiological mechanisms. Several natural products such as flavonoids have been reported in the literature for having the capacity to cross the blood-brain barrier and slow the progression of such diseases. The present article reports on in silico enzymatic target studies and natural products as inhibitors for the treatment of Parkinson’s and Alzheimer’s diseases. In this study we evaluated 39 flavonoids using prediction of molecular properties and in silico docking studies, while comparing against 7 standard reference compounds: 4 for Parkinson’s and 3 for Alzheimer’s. Osiris analysis revealed that most of the flavonoids presented no toxicity and good absorption parameters. The Parkinson’s docking results using selected flavonoids as compared to the standards with four proteins revealed similar binding energies, indicating that the compounds 8-prenylnaringenin, europinidin, epicatechin gallate, homoeriodictyol, capensinidin, and rosinidin are potential leads with the necessary pharmacological and structural properties to be drug candidates. The Alzheimer’s docking results suggested that seven of the 39 flavonoids studied, being those with the best molecular docking results, presenting no toxicity risks, and having good absorption rates (8-prenylnaringenin, europinidin, epicatechin gallate, homoeriodictyol, aspalathin, butin, and norartocarpetin) for the targets analyzed, are the flavonoids which possess the most adequate pharmacological profiles.