A common feature pharmacophore for FDA-approved drugs inhibiting the Ebola virus.

ABSTRACT: We are currently faced with a global infectious disease crisis which has been anticipated for decades. While many promising biotherapeutics are being tested, the search for a small molecule has yet to deliver an approved drug or therapeutic for the Ebola or similar filoviruses that cause haemorrhagic fever. Two recent high throughput screens published in 2013 did however identify several hits that progressed to animal studies that are FDA approved drugs used for other indications. The current computational analysis uses these molecules from two different structural classes to construct a common features pharmacophore. This ligand-based pharmacophore implicates a possible common target or mechanism that could be further explored. A recent structure based design project yielded nine co-cryst

SUBMITTER: Ekins S 

PROVIDER: S-EPMC4304229 | biostudies-literature | 2014

REPOSITORIES: biostudies-literature