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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...

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Autores principales: 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.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
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.
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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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