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

ABSTRACT: 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.

SUBMITTER: Veljkovic V

PROVIDER: S-EPMC4329668 | biostudies-literature | 2015

REPOSITORIES: biostudies-literature

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

Veljkovic Veljko V Loiseau Philippe M PM Figadere Bruno B Glisic Sanja S Veljkovic Nevena N Perovic Vladimir R VR Cavanaugh David P DP Branch Donald R DR

F1000Research 20150202

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 ...[more]

PMID: 25717373

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