A metabolic modeling approach reveals promising therapeutic targets and antiviral drugs to combat COVID-19

Abstract In this study we have developed a method based on Flux Balance Analysis to identify human metabolic enzymes which can be targeted for therapeutic intervention against COVID-19. A literature search was carried out in order to identify suitable inhibitors of these enzymes, which were confirme...

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Autores principales:	Fernando Santos-Beneit, Vytautas Raškevičius, Vytenis A. Skeberdis, Sergio Bordel
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/901ee0f78594450698166507df597800
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spelling	oai:doaj.org-article:901ee0f78594450698166507df5978002021-12-02T17:52:12ZA metabolic modeling approach reveals promising therapeutic targets and antiviral drugs to combat COVID-1910.1038/s41598-021-91526-32045-2322https://doaj.org/article/901ee0f78594450698166507df5978002021-06-01T00:00:00Zhttps://doi.org/10.1038/s41598-021-91526-3https://doaj.org/toc/2045-2322Abstract In this study we have developed a method based on Flux Balance Analysis to identify human metabolic enzymes which can be targeted for therapeutic intervention against COVID-19. A literature search was carried out in order to identify suitable inhibitors of these enzymes, which were confirmed by docking calculations. In total, 10 targets and 12 bioactive molecules have been predicted. Among the most promising molecules we identified Triacsin C, which inhibits ACSL3, and which has been shown to be very effective against different viruses, including positive-sense single-stranded RNA viruses. Similarly, we also identified the drug Celgosivir, which has been successfully tested in cells infected with different types of viruses such as Dengue, Zika, Hepatitis C and Influenza. Finally, other drugs targeting enzymes of lipid metabolism, carbohydrate metabolism or protein palmitoylation (such as Propylthiouracil, 2-Bromopalmitate, Lipofermata, Tunicamycin, Benzyl Isothiocyanate, Tipifarnib and Lonafarnib) are also proposed.Fernando Santos-BeneitVytautas RaškevičiusVytenis A. SkeberdisSergio BordelNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 11, Iss 1, Pp 1-11 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Fernando Santos-Beneit Vytautas Raškevičius Vytenis A. Skeberdis Sergio Bordel A metabolic modeling approach reveals promising therapeutic targets and antiviral drugs to combat COVID-19
description	Abstract In this study we have developed a method based on Flux Balance Analysis to identify human metabolic enzymes which can be targeted for therapeutic intervention against COVID-19. A literature search was carried out in order to identify suitable inhibitors of these enzymes, which were confirmed by docking calculations. In total, 10 targets and 12 bioactive molecules have been predicted. Among the most promising molecules we identified Triacsin C, which inhibits ACSL3, and which has been shown to be very effective against different viruses, including positive-sense single-stranded RNA viruses. Similarly, we also identified the drug Celgosivir, which has been successfully tested in cells infected with different types of viruses such as Dengue, Zika, Hepatitis C and Influenza. Finally, other drugs targeting enzymes of lipid metabolism, carbohydrate metabolism or protein palmitoylation (such as Propylthiouracil, 2-Bromopalmitate, Lipofermata, Tunicamycin, Benzyl Isothiocyanate, Tipifarnib and Lonafarnib) are also proposed.
format	article
author	Fernando Santos-Beneit Vytautas Raškevičius Vytenis A. Skeberdis Sergio Bordel
author_facet	Fernando Santos-Beneit Vytautas Raškevičius Vytenis A. Skeberdis Sergio Bordel
author_sort	Fernando Santos-Beneit
title	A metabolic modeling approach reveals promising therapeutic targets and antiviral drugs to combat COVID-19
title_short	A metabolic modeling approach reveals promising therapeutic targets and antiviral drugs to combat COVID-19
title_full	A metabolic modeling approach reveals promising therapeutic targets and antiviral drugs to combat COVID-19
title_fullStr	A metabolic modeling approach reveals promising therapeutic targets and antiviral drugs to combat COVID-19
title_full_unstemmed	A metabolic modeling approach reveals promising therapeutic targets and antiviral drugs to combat COVID-19
title_sort	metabolic modeling approach reveals promising therapeutic targets and antiviral drugs to combat covid-19
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/901ee0f78594450698166507df597800
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A metabolic modeling approach reveals promising therapeutic targets and antiviral drugs to combat COVID-19

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