Limits...
In silico analysis suggests repurposing of ibuprofen for prevention and treatment of EBOLA virus disease.

Veljkovic V, Goeijenbier M, Glisic S, Veljkovic N, Perovic VR, Sencanski M, Branch DR, Paessler S - F1000Res (2015)

Bottom Line: 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.

View Article: PubMed Central - PubMed

Affiliation: Center for Multidisciplinary Research, Institute of Nuclear Sciences Vinca, University of Belgrade, Mihajla Petrovica 12-14, 11001 Belgrade, Serbia.

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.

No MeSH data available.


Related in: MedlinePlus

Distribution of nonsteroidal anti-inflamatory drugs in the AQVN/EIIP space.Domain of inhibitors of Ebola virus infection8 is marked in red.
© Copyright Policy - open-access
Related In: Results  -  Collection

License 1 - License 2
getmorefigures.php?uid=PMC4482208&req=5

f1: Distribution of nonsteroidal anti-inflamatory drugs in the AQVN/EIIP space.Domain of inhibitors of Ebola virus infection8 is marked in red.

Mentions: To assess specificity of ibuprofen as a potential inhibitor of the Ebola virus infection, distribution of all approved NSAIDs in AQVN/EIIP space was analyzed. Results presented in (Table 1 andFigure 1) show that only ibuprofen and its isomer dexibiprofen are located within the domain of the AQVN/EIIP space. Interestingly, most of the experimentally verified inhibitors of the Ebola virus infection are located in the same space (e.g. chloroquine, amodiaquine, brincidofovir, etc)8. This suggests that ibuprofen and dexibuprofen are the only drugs from the NSAID group that potentially have anti-Ebolavirus effects, which should be tested bothin vitro andin vivo.


In silico analysis suggests repurposing of ibuprofen for prevention and treatment of EBOLA virus disease.

Veljkovic V, Goeijenbier M, Glisic S, Veljkovic N, Perovic VR, Sencanski M, Branch DR, Paessler S - F1000Res (2015)

Distribution of nonsteroidal anti-inflamatory drugs in the AQVN/EIIP space.Domain of inhibitors of Ebola virus infection8 is marked in red.
© Copyright Policy - open-access
Related In: Results  -  Collection

License 1 - License 2
Show All Figures
getmorefigures.php?uid=PMC4482208&req=5

f1: Distribution of nonsteroidal anti-inflamatory drugs in the AQVN/EIIP space.Domain of inhibitors of Ebola virus infection8 is marked in red.
Mentions: To assess specificity of ibuprofen as a potential inhibitor of the Ebola virus infection, distribution of all approved NSAIDs in AQVN/EIIP space was analyzed. Results presented in (Table 1 andFigure 1) show that only ibuprofen and its isomer dexibiprofen are located within the domain of the AQVN/EIIP space. Interestingly, most of the experimentally verified inhibitors of the Ebola virus infection are located in the same space (e.g. chloroquine, amodiaquine, brincidofovir, etc)8. This suggests that ibuprofen and dexibuprofen are the only drugs from the NSAID group that potentially have anti-Ebolavirus effects, which should be tested bothin vitro andin vivo.

Bottom Line: 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.

View Article: PubMed Central - PubMed

Affiliation: Center for Multidisciplinary Research, Institute of Nuclear Sciences Vinca, University of Belgrade, Mihajla Petrovica 12-14, 11001 Belgrade, Serbia.

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.

No MeSH data available.


Related in: MedlinePlus