title: Small molecules with antiviral activity against the Ebola virus.
abstract: The recent outbreak of the Ebola virus in West Africa has highlighted the clear shortage of broad-spectrum antiviral drugs for emerging viruses. There are numerous FDA approved drugs and other small molecules described in the literature that could be further evaluated for their potential as antiviral compounds. These molecules are in addition to the few new antivirals that have been tested in Ebola patients but were not originally developed against the Ebola virus, and may play an important role as we await an effective vaccine. The balance between using FDA approved drugs versus novel antivirals with minimal safety and no efficacy data in humans should be considered. We have evaluated 55 molecules from the perspective of an experienced medicinal chemist as well as using simple molecular properties and have highlighted 16 compounds that have desirable qualities as well as those that may be less desirable. In addition we propose that a collaborative database for sharing such published and novel information on small molecules is needed for the research community studying the Ebola virus.
authors.affiliation: Collaborative Drug Discovery, 1633 Bayshore Highway, Suite 342, Burlingame, CA, 94010, USA.
authors.forename: Nadia
authors.initials: N
authors.lastname: Litterman
authors.affiliation: Christopher A. Lipinski, Ph.D., LLC., 10 Connshire Drive, Waterford, CT, 06385-4122, USA.
authors.forename: Christopher
authors.initials: C
authors.lastname: Lipinski
authors.affiliation: Collaborative Drug Discovery, 1633 Bayshore Highway, Suite 342, Burlingame, CA, 94010, USA ; Collaborations in Chemistry, 5616 Hilltop Needmore Road, Fuquay Varina, NC, 27526, USA.
authors.forename: Sean
authors.initials: S
authors.lastname: Ekins
keywords: Ebola Virus; FDA approved drugs; Medicinal chemistry