Virtual screen for repurposing approved and experimental drugs for candidate inhibitors of EBOLA virus infection

The ongoing Ebola virus epidemic has presented numerous challenges with respect to control and treatment because there are no approved drugs or vaccines for the Ebola virus disease (EVD). Herein is proposed simple theoretical criterion for fast virtual screening of molecular libraries for candidate...

Descripción completa

Detalles Bibliográficos
Autores principales: Veljkovic, Veljko, Loiseau, Philippe M., Figadere, Bruno, Glisic, Sanja, Veljkovic, Nevena, Perovic, Vladimir R., Cavanaugh, David P., Branch, Donald R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: F1000Research 2015
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4329668/
https://www.ncbi.nlm.nih.gov/pubmed/25717373
http://dx.doi.org/10.12688/f1000research.6110.1
_version_ 1782357469833461760
author Veljkovic, Veljko
Loiseau, Philippe M.
Figadere, Bruno
Glisic, Sanja
Veljkovic, Nevena
Perovic, Vladimir R.
Cavanaugh, David P.
Branch, Donald R.
author_facet Veljkovic, Veljko
Loiseau, Philippe M.
Figadere, Bruno
Glisic, Sanja
Veljkovic, Nevena
Perovic, Vladimir R.
Cavanaugh, David P.
Branch, Donald R.
author_sort Veljkovic, Veljko
collection PubMed
description The ongoing Ebola virus epidemic has presented numerous challenges with respect to control and treatment because there are no approved drugs or vaccines for the Ebola virus disease (EVD). Herein is proposed simple theoretical criterion for fast virtual screening of molecular libraries for candidate inhibitors of Ebola virus infection. We performed a repurposing screen of 6438 drugs from DrugBank using this criterion and selected 267 approved and 382 experimental drugs as candidates for treatment of EVD including 15 anti-malarial drugs and 32 antibiotics. An open source Web server allowing screening of molecular libraries for candidate drugs for treatment of EVD was also established.
format Online
Article
Text
id pubmed-4329668
institution National Center for Biotechnology Information
language English
publishDate 2015
publisher F1000Research
record_format MEDLINE/PubMed
spelling pubmed-43296682015-02-24 Virtual screen for repurposing approved and experimental drugs for candidate inhibitors of EBOLA virus infection Veljkovic, Veljko Loiseau, Philippe M. Figadere, Bruno Glisic, Sanja Veljkovic, Nevena Perovic, Vladimir R. Cavanaugh, David P. Branch, Donald R. F1000Res Research Article The ongoing Ebola virus epidemic has presented numerous challenges with respect to control and treatment because there are no approved drugs or vaccines for the Ebola virus disease (EVD). Herein is proposed simple theoretical criterion for fast virtual screening of molecular libraries for candidate inhibitors of Ebola virus infection. We performed a repurposing screen of 6438 drugs from DrugBank using this criterion and selected 267 approved and 382 experimental drugs as candidates for treatment of EVD including 15 anti-malarial drugs and 32 antibiotics. An open source Web server allowing screening of molecular libraries for candidate drugs for treatment of EVD was also established. F1000Research 2015-02-02 /pmc/articles/PMC4329668/ /pubmed/25717373 http://dx.doi.org/10.12688/f1000research.6110.1 Text en Copyright: © 2015 Veljkovic V et al. http://creativecommons.org/licenses/by/4.0/ This is an open access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. http://creativecommons.org/publicdomain/zero/1.0/ Data associated with the article are available under the terms of the Creative Commons Zero "No rights reserved" data waiver (CC0 1.0 Public domain dedication).
spellingShingle Research Article
Veljkovic, Veljko
Loiseau, Philippe M.
Figadere, Bruno
Glisic, Sanja
Veljkovic, Nevena
Perovic, Vladimir R.
Cavanaugh, David P.
Branch, Donald R.
Virtual screen for repurposing approved and experimental drugs for candidate inhibitors of EBOLA virus infection
title Virtual screen for repurposing approved and experimental drugs for candidate inhibitors of EBOLA virus infection
title_full Virtual screen for repurposing approved and experimental drugs for candidate inhibitors of EBOLA virus infection
title_fullStr Virtual screen for repurposing approved and experimental drugs for candidate inhibitors of EBOLA virus infection
title_full_unstemmed Virtual screen for repurposing approved and experimental drugs for candidate inhibitors of EBOLA virus infection
title_short Virtual screen for repurposing approved and experimental drugs for candidate inhibitors of EBOLA virus infection
title_sort virtual screen for repurposing approved and experimental drugs for candidate inhibitors of ebola virus infection
topic Research Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4329668/
https://www.ncbi.nlm.nih.gov/pubmed/25717373
http://dx.doi.org/10.12688/f1000research.6110.1
work_keys_str_mv AT veljkovicveljko virtualscreenforrepurposingapprovedandexperimentaldrugsforcandidateinhibitorsofebolavirusinfection
AT loiseauphilippem virtualscreenforrepurposingapprovedandexperimentaldrugsforcandidateinhibitorsofebolavirusinfection
AT figaderebruno virtualscreenforrepurposingapprovedandexperimentaldrugsforcandidateinhibitorsofebolavirusinfection
AT glisicsanja virtualscreenforrepurposingapprovedandexperimentaldrugsforcandidateinhibitorsofebolavirusinfection
AT veljkovicnevena virtualscreenforrepurposingapprovedandexperimentaldrugsforcandidateinhibitorsofebolavirusinfection
AT perovicvladimirr virtualscreenforrepurposingapprovedandexperimentaldrugsforcandidateinhibitorsofebolavirusinfection
AT cavanaughdavidp virtualscreenforrepurposingapprovedandexperimentaldrugsforcandidateinhibitorsofebolavirusinfection
AT branchdonaldr virtualscreenforrepurposingapprovedandexperimentaldrugsforcandidateinhibitorsofebolavirusinfection

Ejemplares similares