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In Silico Study of Polyunsaturated Fatty Acids as Potential SARS-CoV-2 Spike Protein Closed Conformation Stabilizers: Epidemiological and Computational Approaches
SARS-CoV-2 infects host cells by interacting its spike protein with surface angiotensin-converting enzyme 2 (ACE2) receptors, expressed in lung and other cell types. Although several risk factors could explain why some countries have lower incidence and fatality rates than others, environmental fact...
Autores principales: | , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2021
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7866518/ https://www.ncbi.nlm.nih.gov/pubmed/33573088 http://dx.doi.org/10.3390/molecules26030711 |
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author | Vivar-Sierra, Alonso Araiza-Macías, María José Hernández-Contreras, José Patricio Vergara-Castañeda, Arely Ramírez-Vélez, Gabriela Pinto-Almazán, Rodolfo Salazar, Juan Rodrigo Loza-Mejía, Marco A. |
author_facet | Vivar-Sierra, Alonso Araiza-Macías, María José Hernández-Contreras, José Patricio Vergara-Castañeda, Arely Ramírez-Vélez, Gabriela Pinto-Almazán, Rodolfo Salazar, Juan Rodrigo Loza-Mejía, Marco A. |
author_sort | Vivar-Sierra, Alonso |
collection | PubMed |
description | SARS-CoV-2 infects host cells by interacting its spike protein with surface angiotensin-converting enzyme 2 (ACE2) receptors, expressed in lung and other cell types. Although several risk factors could explain why some countries have lower incidence and fatality rates than others, environmental factors such as diet should be considered. It has been described that countries with high polyunsaturated fatty acid (PUFA) intake have a lower number of COVID-19 victims and a higher rate of recovery from the disease. Moreover, it was found that linoleic acid, an omega-6 PUFA, could stabilize the spike protein in a closed conformation, blocking its interaction with ACE2. These facts prompted us to perform in silico simulations to determine if other PUFA could also stabilize the closed conformation of spike protein and potentially lead to a reduction in SARS-CoV-2 infection. We found that: (a) countries whose source of omega-3 is from marine origin have lower fatality rates; and (b) like linoleic acid, omega-3 PUFA could also bind to the closed conformation of spike protein and therefore, could help reduce COVID-19 complications by reducing viral entrance to cells, in addition to their known anti-inflammatory effects. |
format | Online Article Text |
id | pubmed-7866518 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2021 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
spelling | pubmed-78665182021-02-07 In Silico Study of Polyunsaturated Fatty Acids as Potential SARS-CoV-2 Spike Protein Closed Conformation Stabilizers: Epidemiological and Computational Approaches Vivar-Sierra, Alonso Araiza-Macías, María José Hernández-Contreras, José Patricio Vergara-Castañeda, Arely Ramírez-Vélez, Gabriela Pinto-Almazán, Rodolfo Salazar, Juan Rodrigo Loza-Mejía, Marco A. Molecules Article SARS-CoV-2 infects host cells by interacting its spike protein with surface angiotensin-converting enzyme 2 (ACE2) receptors, expressed in lung and other cell types. Although several risk factors could explain why some countries have lower incidence and fatality rates than others, environmental factors such as diet should be considered. It has been described that countries with high polyunsaturated fatty acid (PUFA) intake have a lower number of COVID-19 victims and a higher rate of recovery from the disease. Moreover, it was found that linoleic acid, an omega-6 PUFA, could stabilize the spike protein in a closed conformation, blocking its interaction with ACE2. These facts prompted us to perform in silico simulations to determine if other PUFA could also stabilize the closed conformation of spike protein and potentially lead to a reduction in SARS-CoV-2 infection. We found that: (a) countries whose source of omega-3 is from marine origin have lower fatality rates; and (b) like linoleic acid, omega-3 PUFA could also bind to the closed conformation of spike protein and therefore, could help reduce COVID-19 complications by reducing viral entrance to cells, in addition to their known anti-inflammatory effects. MDPI 2021-01-29 /pmc/articles/PMC7866518/ /pubmed/33573088 http://dx.doi.org/10.3390/molecules26030711 Text en © 2021 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/). |
spellingShingle | Article Vivar-Sierra, Alonso Araiza-Macías, María José Hernández-Contreras, José Patricio Vergara-Castañeda, Arely Ramírez-Vélez, Gabriela Pinto-Almazán, Rodolfo Salazar, Juan Rodrigo Loza-Mejía, Marco A. In Silico Study of Polyunsaturated Fatty Acids as Potential SARS-CoV-2 Spike Protein Closed Conformation Stabilizers: Epidemiological and Computational Approaches |
title | In Silico Study of Polyunsaturated Fatty Acids as Potential SARS-CoV-2 Spike Protein Closed Conformation Stabilizers: Epidemiological and Computational Approaches |
title_full | In Silico Study of Polyunsaturated Fatty Acids as Potential SARS-CoV-2 Spike Protein Closed Conformation Stabilizers: Epidemiological and Computational Approaches |
title_fullStr | In Silico Study of Polyunsaturated Fatty Acids as Potential SARS-CoV-2 Spike Protein Closed Conformation Stabilizers: Epidemiological and Computational Approaches |
title_full_unstemmed | In Silico Study of Polyunsaturated Fatty Acids as Potential SARS-CoV-2 Spike Protein Closed Conformation Stabilizers: Epidemiological and Computational Approaches |
title_short | In Silico Study of Polyunsaturated Fatty Acids as Potential SARS-CoV-2 Spike Protein Closed Conformation Stabilizers: Epidemiological and Computational Approaches |
title_sort | in silico study of polyunsaturated fatty acids as potential sars-cov-2 spike protein closed conformation stabilizers: epidemiological and computational approaches |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7866518/ https://www.ncbi.nlm.nih.gov/pubmed/33573088 http://dx.doi.org/10.3390/molecules26030711 |
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