Статья

Structure-based drug design of a new chemical class of small molecules active against influenza a nucleoprotein in vitro and in vivo

P. Fedichev, R. Timakhov, T. Pyrkov, E. Getmantsev, A. Vinnik,
2021

We report preliminary results and a summary of a bottom-up approach to identify new, active, nontoxic, small-molecule antivirals designed to have a novel mechanism of action. We employed the procedure to identify 3- mercapto-1,2,4-triazoles derivatives as potential NP inhibitors in silico and subsequently demonstrated the in vitro efficacy of the molecules against various strains of the influenza A virus. The most efficacious compounds were successfully tested in an in vivo influenza challenge experiment.

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Версии

  • 1. Version of Record от 2021-04-27

Метаданные

Об авторах
  • P. Fedichev
    Quantum Pharmaceuticals, ul. Kosmonavta Volkova 6A-606, Moscow, 125171, Russian Federation
  • R. Timakhov
  • T. Pyrkov
  • E. Getmantsev
  • A. Vinnik
Название журнала
  • PLoS Currents
Страницы
  • -
Ключевые слова
  • 1,2,4 triazole derivative; 5 (4 chlorophenyl) 4 (methylphenyl) 1,2,4 triazole 3 ylthioglycolic acid; nucleoprotein; oseltamivir; rimantadine; unclassified drug; 3 mercapto 1,2,4 triazoles derivative; antivirus agent; f 66; influenza vaccine; nucleoprotein; placebo; protein inhibitor; ribavirin; triazole derivative; virus protein; animal experiment; animal model; article; cell protection; computer model; controlled study; cytotoxicity; drug structure; in vitro study; in vivo study; Influenza virus A; Influenza virus A H1N1; Influenza virus A H3N2; Influenza virus A H5N1; molecular docking; mouse; nonhuman; virus strain; cytopathogenic effect; drug design; enzyme linked immunosorbent assay; hemagglutination; human; human cell; immunohistochemistry; influenza A; life expectancy; toxicity; virus culture
Тип документа
  • journal article
Источник
  • scopus