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

Artikel i vetenskaplig tidskrift
Författare B. Verbruggen
L. Gunnarsson
Erik Kristiansson
Tobias Österlund
S. F. Owen
J. R. Snape
C. R. Tyler
Publicerad i Nucleic Acids Research
Volym 46
Nummer/häfte D1
Sidor D930-D936
ISSN 0305-1048
Publiceringsår 2018
Publicerad vid Institutionen för matematiska vetenskaper
Sidor D930-D936
Språk en
Länkar https://doi.org/10.1093/nar/gkx1024
Ämnesord 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
Ämneskategorier Biokemi och molekylärbiologi

Sammanfattning

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).

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