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Computational Studies Applied to Flavonoids against Alzheimer's and Parkinson's Diseases.
Oxid Med Cell Longev. 2018; 2018:7912765.OM

Abstract

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.

Authors+Show Affiliations

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

Pub Type(s)

Journal Article

Language

eng

PubMed ID

30693065

Citation

Monteiro, Alex France M., et al. "Computational Studies Applied to Flavonoids Against Alzheimer's and Parkinson's Diseases." Oxidative Medicine and Cellular Longevity, vol. 2018, 2018, p. 7912765.
Monteiro AFM, Viana JO, Nayarisseri A, et al. Computational Studies Applied to Flavonoids against Alzheimer's and Parkinson's Diseases. Oxid Med Cell Longev. 2018;2018:7912765.
Monteiro, A. F. M., Viana, J. O., Nayarisseri, A., Zondegoumba, E. N., Mendonça Junior, F. J. B., Scotti, M. T., & Scotti, L. (2018). Computational Studies Applied to Flavonoids against Alzheimer's and Parkinson's Diseases. Oxidative Medicine and Cellular Longevity, 2018, 7912765. https://doi.org/10.1155/2018/7912765
Monteiro AFM, et al. Computational Studies Applied to Flavonoids Against Alzheimer's and Parkinson's Diseases. Oxid Med Cell Longev. 2018;2018:7912765. PubMed PMID: 30693065.
* Article titles in AMA citation format should be in sentence-case
TY - JOUR T1 - Computational Studies Applied to Flavonoids against Alzheimer's and Parkinson's Diseases. AU - Monteiro,Alex France M, AU - Viana,Jéssika De O, AU - Nayarisseri,Anuraj, AU - Zondegoumba,Ernestine N, AU - Mendonça Junior,Francisco Jaime B, AU - Scotti,Marcus Tullius, AU - Scotti,Luciana, Y1 - 2018/12/30/ PY - 2018/10/05/received PY - 2018/11/12/revised PY - 2018/11/14/accepted PY - 2019/1/30/entrez PY - 2019/1/30/pubmed PY - 2019/3/21/medline SP - 7912765 EP - 7912765 JF - Oxidative medicine and cellular longevity JO - Oxid Med Cell Longev VL - 2018 N2 - 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. SN - 1942-0994 UR - https://www.unboundmedicine.com/medline/citation/30693065/Computational_Studies_Applied_to_Flavonoids_against_Alzheimer's_and_Parkinson's_Diseases_ L2 - https://doi.org/10.1155/2018/7912765 DB - PRIME DP - Unbound Medicine ER -