Virtual screen for repurposing approved and experimental drugs for candidate inhibitors of EBOLA virus infection [v2; ref status: indexed, http://f1000r.es/53d]
Veljko Veljkovic,
Philippe M. Loiseau,
Bruno Figadere,
Sanja Glisic,
Nevena Veljkovic,
Vladimir R. Perovic,
David P. Cavanaugh,
Donald R. Branch
Affiliations
Veljko Veljkovic
Center for Multidisciplinary Research, University of Belgrade, Institute of Nuclear Sciences VINCA, P.O. Box 522, 11001 Belgrade, Serbia
Philippe M. Loiseau
Antiparasitic Chemotherapy, UMR 8076 CNRS BioCIS, Faculty of Pharmacy Université Paris-Sud, Rue Jean-Baptiste Clément, F 92290- Chatenay-Malabry, France
Bruno Figadere
Antiparasitic Chemotherapy, UMR 8076 CNRS BioCIS, Faculty of Pharmacy Université Paris-Sud, Rue Jean-Baptiste Clément, F 92290- Chatenay-Malabry, France
Sanja Glisic
Center for Multidisciplinary Research, University of Belgrade, Institute of Nuclear Sciences VINCA, P.O. Box 522, 11001 Belgrade, Serbia
Nevena Veljkovic
Center for Multidisciplinary Research, University of Belgrade, Institute of Nuclear Sciences VINCA, P.O. Box 522, 11001 Belgrade, Serbia
Vladimir R. Perovic
Center for Multidisciplinary Research, University of Belgrade, Institute of Nuclear Sciences VINCA, P.O. Box 522, 11001 Belgrade, Serbia
David P. Cavanaugh
Bench Electronics, Bradford Dr., Huntsville, AL, 35801, USA
Donald R. Branch
Canadian Blood Services, Center for Innovation, 67 College Street, Toronto, Ontario, M5G 2M1, Canada
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.
