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

We report preliminary results and a summary of a bottom-up approach to identify new, active, nontoxic, small-molecule antivirals designed to have а novel mechanism of action. We employed the procedure to identify 3-mercapto-1,2,4-triazoles derivatives as potential NP inhibitors in silico and subsequ...

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Detalles Bibliográficos
Autores principales: Fedichev, Peter, Timakhov, Roman, Pyrkov, Tim, Getmantsev, Evgeny, Vinnik, Andrey
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Public Library of Science 2011
Materias:
Influenza
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3153361/
https://www.ncbi.nlm.nih.gov/pubmed/21894258
http://dx.doi.org/10.1371/currents.RRN1253
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author Fedichev, Peter
Timakhov, Roman
Pyrkov, Tim
Getmantsev, Evgeny
Vinnik, Andrey
author_facet Fedichev, Peter
Timakhov, Roman
Pyrkov, Tim
Getmantsev, Evgeny
Vinnik, Andrey
author_sort Fedichev, Peter
collection PubMed
description We report preliminary results and a summary of a bottom-up approach to identify new, active, nontoxic, small-molecule antivirals designed to have а 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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spelling pubmed-31533612011-09-02 Structure-based drug design of a new chemical class of small molecules active against influenza A nucleoprotein in vitro and in vivo Fedichev, Peter Timakhov, Roman Pyrkov, Tim Getmantsev, Evgeny Vinnik, Andrey PLoS Curr Influenza We report preliminary results and a summary of a bottom-up approach to identify new, active, nontoxic, small-molecule antivirals designed to have а 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. Public Library of Science 2011-08-07 /pmc/articles/PMC3153361/ /pubmed/21894258 http://dx.doi.org/10.1371/currents.RRN1253 Text en http://creativecommons.org/licenses/by/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are properly credited.
spellingShingle Influenza
Fedichev, Peter
Timakhov, Roman
Pyrkov, Tim
Getmantsev, Evgeny
Vinnik, Andrey
Structure-based drug design of a new chemical class of small molecules active against influenza A nucleoprotein in vitro and in vivo
title Structure-based drug design of a new chemical class of small molecules active against influenza A nucleoprotein in vitro and in vivo
title_full Structure-based drug design of a new chemical class of small molecules active against influenza A nucleoprotein in vitro and in vivo
title_fullStr Structure-based drug design of a new chemical class of small molecules active against influenza A nucleoprotein in vitro and in vivo
title_full_unstemmed Structure-based drug design of a new chemical class of small molecules active against influenza A nucleoprotein in vitro and in vivo
title_short Structure-based drug design of a new chemical class of small molecules active against influenza A nucleoprotein in vitro and in vivo
title_sort structure-based drug design of a new chemical class of small molecules active against influenza a nucleoprotein in vitro and in vivo
topic Influenza
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3153361/
https://www.ncbi.nlm.nih.gov/pubmed/21894258
http://dx.doi.org/10.1371/currents.RRN1253
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