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10.1038/s41598-021-91526-3

http://scihub22266oqcxt.onion/10.1038/s41598-021-91526-3
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34099831!8184994!34099831
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suck abstract from ncbi


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pmid34099831      Sci+Rep 2021 ; 11 (1): 11982
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  • A metabolic modeling approach reveals promising therapeutic targets and antiviral drugs to combat COVID-19 #MMPMID34099831
  • Santos-Beneit F; Raskevicius V; Skeberdis VA; Bordel S
  • Sci Rep 2021[Jun]; 11 (1): 11982 PMID34099831show ga
  • 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.
  • |*COVID-19 Drug Treatment[MESH]
  • |*Molecular Docking Simulation[MESH]
  • |Antiviral Agents/*pharmacology[MESH]
  • |Dengue Virus/drug effects[MESH]
  • |Hepacivirus/drug effects[MESH]
  • |SARS-CoV-2/*drug effects[MESH]
  • |Virus Replication/*drug effects[MESH]
  • |Zika Virus Infection/drug therapy[MESH]


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