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An integrated dataset for in silico drug discovery

Lookup NU author(s): Dr Simon CockellORCiD, Jochen Weile, Dr Phillip Lord, Dmytro Andriychenko, Dr Matthew Pocock, Professor Darren Wilkinson, Professor Anil Wipat

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Abstract

Drug development is expensive and prone to failure. It is potentially much less risky and expensive to reuse a drug developed for one condition for treating a second disease, than it is to develop an entirely new compound. Systematic approaches to drug repositioning are needed to increase throughput and find candidates more reliably. Here we address this need with an integrated systems biology dataset, developed using the Ondex data integration platform, for the in silico discovery of new drug repositioning candidates. We demonstrate that the information in this dataset allows known repositioning examples to be discovered. We also propose a means of automating the search for new treatment indications of existing compounds.

Publication metadata

Author(s): Cockell SJ, Weile J, Lord P, Wipat C, Andriychenko D, Pocock M, Wilkinson D, Young M, Wipat A

Publication type: Article

Publication status: Published

Journal: Journal of Integrative Bioinformatics

Year: 2010

Volume: 7

Issue: 3

Pages: 116

Print publication date: 25/03/2010

Date deposited: 29/04/2010

ISSN (electronic): 1613-4516

Publisher: Bielefeld University

URL: http://biecoll.ub.uni-bielefeld.de/volltexte/2010/5015/

DOI: 10.2390/biecoll-jib-2010-116

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