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...

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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
Descripción
Sumario: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.

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