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ECOdrug: a database connecting drugs and conservation of their targets across species

Pharmaceuticals are designed to interact with specific molecular targets in humans and these targets generally have orthologs in other species. This provides opportunities for the drug discovery community to use alternative model species for drug development. It also means, however, there is potenti...

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Autores principales: Verbruggen, Bas, Gunnarsson, Lina, Kristiansson, Erik, Österlund, Tobias, Owen, Stewart F, Snape, Jason R, Tyler, Charles R
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5753218/
https://www.ncbi.nlm.nih.gov/pubmed/29140522
http://dx.doi.org/10.1093/nar/gkx1024
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author Verbruggen, Bas
Gunnarsson, Lina
Kristiansson, Erik
Österlund, Tobias
Owen, Stewart F
Snape, Jason R
Tyler, Charles R
author_facet Verbruggen, Bas
Gunnarsson, Lina
Kristiansson, Erik
Österlund, Tobias
Owen, Stewart F
Snape, Jason R
Tyler, Charles R
author_sort Verbruggen, Bas
collection PubMed
description Pharmaceuticals are designed to interact with specific molecular targets in humans and these targets generally have orthologs in other species. This provides opportunities for the drug discovery community to use alternative model species for drug development. It also means, however, there is potential for mode of action related effects in non-target wildlife species as many pharmaceuticals reach the environment through patient use and manufacturing wastes. Acquiring insight in drug target ortholog predictions across species and taxonomic groups has proven difficult because of the lack of an optimal strategy and because necessary information is spread across multiple and diverse sources and platforms. We introduce a new research platform tool, ECOdrug, that reliably connects drugs to their protein targets across divergent species. It harmonizes ortholog predictions from multiple sources via a simple user interface underpinning critical applications for a wide range of studies in pharmacology, ecotoxicology and comparative evolutionary biology. ECOdrug can be used to identify species with drug targets and identify drugs that interact with those targets. As such, it can be applied to support intelligent targeted drug safety testing by ensuring appropriate and relevant species are selected in ecological risk assessments. ECOdrug is freely accessible and available at: http://www.ecodrug.org.
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spelling pubmed-57532182018-01-05 ECOdrug: a database connecting drugs and conservation of their targets across species Verbruggen, Bas Gunnarsson, Lina Kristiansson, Erik Österlund, Tobias Owen, Stewart F Snape, Jason R Tyler, Charles R Nucleic Acids Res Database Issue Pharmaceuticals are designed to interact with specific molecular targets in humans and these targets generally have orthologs in other species. This provides opportunities for the drug discovery community to use alternative model species for drug development. It also means, however, there is potential for mode of action related effects in non-target wildlife species as many pharmaceuticals reach the environment through patient use and manufacturing wastes. Acquiring insight in drug target ortholog predictions across species and taxonomic groups has proven difficult because of the lack of an optimal strategy and because necessary information is spread across multiple and diverse sources and platforms. We introduce a new research platform tool, ECOdrug, that reliably connects drugs to their protein targets across divergent species. It harmonizes ortholog predictions from multiple sources via a simple user interface underpinning critical applications for a wide range of studies in pharmacology, ecotoxicology and comparative evolutionary biology. ECOdrug can be used to identify species with drug targets and identify drugs that interact with those targets. As such, it can be applied to support intelligent targeted drug safety testing by ensuring appropriate and relevant species are selected in ecological risk assessments. ECOdrug is freely accessible and available at: http://www.ecodrug.org. Oxford University Press 2018-01-04 2017-11-11 /pmc/articles/PMC5753218/ /pubmed/29140522 http://dx.doi.org/10.1093/nar/gkx1024 Text en © The Author(s) 2017. Published by Oxford University Press on behalf of Nucleic Acids Research. http://creativecommons.org/licenses/by-nc/4.0/ This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by-nc/4.0/), which permits non-commercial re-use, distribution, and reproduction in any medium, provided the original work is properly cited. For commercial re-use, please contact journals.permissions@oup.com
spellingShingle Database Issue
Verbruggen, Bas
Gunnarsson, Lina
Kristiansson, Erik
Österlund, Tobias
Owen, Stewart F
Snape, Jason R
Tyler, Charles R
ECOdrug: a database connecting drugs and conservation of their targets across species
title ECOdrug: a database connecting drugs and conservation of their targets across species
title_full ECOdrug: a database connecting drugs and conservation of their targets across species
title_fullStr ECOdrug: a database connecting drugs and conservation of their targets across species
title_full_unstemmed ECOdrug: a database connecting drugs and conservation of their targets across species
title_short ECOdrug: a database connecting drugs and conservation of their targets across species
title_sort ecodrug: a database connecting drugs and conservation of their targets across species
topic Database Issue
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5753218/
https://www.ncbi.nlm.nih.gov/pubmed/29140522
http://dx.doi.org/10.1093/nar/gkx1024
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