1. In silico analysis suggests repurposing of ibuprofen for prevention and treatment of EBOLA virus disease
- Author
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Vladimir Perovic, Milan Sencanski, Veljko Veljkovic, Slobodan Paessler, Donald R. Branch, Sanja Glisic, Nevena Veljkovic, and Marco Goeijenbier
- Subjects
Drug ,In silico ,media_common.quotation_subject ,viruses ,Tropical & Travel-Associated Diseases ,Disease ,Bioinformatics ,medicine.disease_cause ,General Biochemistry, Genetics and Molecular Biology ,03 medical and health sciences ,0302 clinical medicine ,Virology ,Medicine ,General Pharmacology, Toxicology and Pharmaceutics ,drug space ,Drug Discovery & Design ,Repurposing ,030304 developmental biology ,media_common ,0303 health sciences ,Virtual screening ,Ebola virus ,General Immunology and Microbiology ,business.industry ,molecular libraries ,General Medicine ,Articles ,Ibuprofen ,NSAID ,3. Good health ,Research Note ,Theory & Simulation ,Molecular mechanism ,business ,030217 neurology & neurosurgery ,medicine.drug - Abstract
The large 2014/2015 Ebola virus outbreak in West Africa points out the urgent need to develop new preventive and therapeutic approaches that are effective against Ebola viruses and can be rapidly utilized. Recently, a simple theoretical criterion for the virtual screening of molecular libraries for candidate inhibitors of Ebola virus infection was proposed. Using this method the ‘drug space’ was screened and 267 approved and 382 experimental drugs as candidates for treatment of the Ebola virus disease (EVD) have been selected. Detailed analysis of these drugs revealed the non-steroidal anti-inflammatory drug ibuprofen as an inexpensive, widely accessible and minimally toxic candidate for prevention and treatment of EVD. Furthermore, the molecular mechanism underlying this possible protective effect of ibuprofen against EVD is suggested in this article.
- Published
- 2015