title: 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.
authors.affiliation: Center for Multidisciplinary Research, University of Belgrade, Institute of Nuclear Sciences VINCA, P.O. Box 522, 11001 Belgrade, Serbia.
authors.forename: Veljko
authors.initials: V
authors.lastname: Veljkovic
authors.affiliation: Antiparasitic Chemotherapy, UMR 8076 CNRS BioCIS, Faculty of Pharmacy Université Paris-Sud, Rue Jean-Baptiste Clément, F 92290- Chatenay-Malabry, France.
authors.forename: Philippe M
authors.initials: PM
authors.lastname: Loiseau
authors.affiliation: Antiparasitic Chemotherapy, UMR 8076 CNRS BioCIS, Faculty of Pharmacy Université Paris-Sud, Rue Jean-Baptiste Clément, F 92290- Chatenay-Malabry, France.
authors.forename: Bruno
authors.initials: B
authors.lastname: Figadere
authors.affiliation: Center for Multidisciplinary Research, University of Belgrade, Institute of Nuclear Sciences VINCA, P.O. Box 522, 11001 Belgrade, Serbia.
authors.forename: Sanja
authors.initials: S
authors.lastname: Glisic
authors.affiliation: Center for Multidisciplinary Research, University of Belgrade, Institute of Nuclear Sciences VINCA, P.O. Box 522, 11001 Belgrade, Serbia.
authors.forename: Nevena
authors.initials: N
authors.lastname: Veljkovic
authors.affiliation: Center for Multidisciplinary Research, University of Belgrade, Institute of Nuclear Sciences VINCA, P.O. Box 522, 11001 Belgrade, Serbia.
authors.forename: Vladimir R
authors.initials: VR
authors.lastname: Perovic
authors.affiliation: Bench Electronics, Bradford Dr., Huntsville, AL, 35801, USA.
authors.forename: David P
authors.initials: DP
authors.lastname: Cavanaugh
authors.affiliation: Canadian Blood Services, Center for Innovation, 67 College Street, Toronto, Ontario, M5G 2M1, Canada.
authors.forename: Donald R
authors.initials: DR
authors.lastname: Branch
keywords: Ebola virus; drug candidates; entry inhibitors; virtual screening