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 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. © 2017 The Author(s).

NATURVETENSKAP Biologi Biokemi och molekylärbiologi hsv//swe
NATURAL SCIENCES Biological Sciences Biochemistry and Molecular Biology hsv//eng
MEDICIN OCH HÄLSOVETENSKAP Medicinska och farmaceutiska grundvetenskaper Farmaceutiska vetenskaper hsv//swe
MEDICAL AND HEALTH SCIENCES Basic Medicine Pharmaceutical Sciences hsv//eng
NATURVETENSKAP Data- och informationsvetenskap Bioinformatik hsv//swe
NATURAL SCIENCES Computer and Information Sciences Bioinformatics hsv//eng
NATURVETENSKAP Biologi Bioinformatik och systembiologi hsv//swe
NATURAL SCIENCES Biological Sciences Bioinformatics and Systems Biology hsv//eng
atorvastatin
dexlansoprazole
esomeprazole
hydroxymethylglutaryl coenzyme A reductase inhibitor
mevinolin
omeprazole
rosuvastatin
accuracy
Article
Chlamydomonas reinhardtii
cholesterol synthesis
Daphnia
data analysis
drug database
drug efficacy
drug information
drug research
drug safety
drug screening
drug targeting
information processing
information retrieval
Lemna gibba
nonhuman
prediction
priority journal
protein targeting
reliability
toxicity testing

Gunnarsson, L.University of Exeter (författare)
Kristiansson, Erik,1978Gothenburg University,Göteborgs universitet,Institutionen för matematiska vetenskaper,Department of Mathematical Sciences,Chalmers tekniska högskola,Chalmers University of Technology(Swepub:cth)erikkr (författare)
Österlund, Tobias,1984Gothenburg University,Göteborgs universitet,Institutionen för matematiska vetenskaper,Department of Mathematical Sciences,Chalmers tekniska högskola,Chalmers University of Technology(Swepub:cth)tobiaso (författare)
Owen, S. F. (författare)
Snape, J. R.The University of Warwick (författare)
Tyler, C. R.University of Exeter (författare)
University of ExeterInstitutionen för matematiska vetenskaper (creator_code:org_t)

Ingår i:Nucleic Acids Research: Oxford University Press (OUP)46:D10305-10481362-4962

Av författaren/redakt...: Verbruggen, B.; Gunnarsson, L.; Kristiansson, Er ...; Österlund, Tobia ...; Owen, S. F.; Snape, J. R.; visa fler...; Tyler, C. R.; visa färre...

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