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Journal of Integrative Bioinformatics

Editor-in-Chief: Schreiber, Falk / Hofestädt, Ralf

Managing Editor: Sommer, Björn

Ed. by Baumbach, Jan / Chen, Ming / Orlov, Yuriy / Allmer, Jens

Editorial Board: Giorgetti, Alejandro / Harrison, Andrew / Kochetov, Aleksey / Krüger, Jens / Ma, Qi / Matsuno, Hiroshi / Mitra, Chanchal K. / Pauling, Josch K. / Rawlings, Chris / Fdez-Riverola, Florentino / Romano, Paolo / Röttger, Richard / Shoshi, Alban / Soares, Siomar de Castro / Taubert, Jan / Tauch, Andreas / Yousef, Malik / Weise, Stephan

4 Issues per year


CiteScore 2017: 0.77

SCImago Journal Rank (SJR) 2017: 0.336

Open Access
Online
ISSN
1613-4516
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Volume 7, Issue 3

Issues

An integrated dataset for in silico drug discovery

Simon J Cockell
  • Bioinformatics Support Unit, Institute for Cell and Molecular Biosciences, Newcastle University, Newcastle-upon-Tyne, NE1 7RH, United Kingdom of Great Britain and Northern Ireland
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/ Jochen Weile
  • School of Computing Science, Claremont Tower, Newcastle University, Newcastle–upon- Tyne, NE1 7RH, United Kingdom of Great Britain and Northern Ireland
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/ Phillip Lord
  • School of Computing Science, Claremont Tower, Newcastle University, Newcastle–upon- Tyne, NE1 7RH, United Kingdom of Great Britain and Northern Ireland
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/ Claire Wipat
  • e-Therapeutics PLC, Holland Park, Holland Drive, Newcastle-upon-Tyne, NE2 4LZ, United Kingdom of Great Britain and Northern Ireland
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/ Dmytro Andriychenko
  • e-Therapeutics PLC, Holland Park, Holland Drive, Newcastle-upon-Tyne, NE2 4LZ, United Kingdom of Great Britain and Northern Ireland
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/ Matthew Pocock
  • School of Computing Science, Claremont Tower, Newcastle University, Newcastle–upon- Tyne, NE1 7RH, United Kingdom of Great Britain and Northern Ireland
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/ Darren Wilkinson
  • Centre for Integrated Systems Biology of Ageing and Nutrition, Newcastle University, NE1 7RH United Kingdom of Great Britain and Northern Ireland
  • School of Mathematics & Statistics, Newcastle University, Newcastle-upon-Tyne, NE1 7RH, United Kingdom of Great Britain and Northern Ireland
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/ Malcolm Young
  • e-Therapeutics PLC, Holland Park, Holland Drive, Newcastle-upon-Tyne, NE2 4LZ, United Kingdom of Great Britain and Northern Ireland
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/ Anil Wipat
  • Corresponding author
  • School of Computing Science, Claremont Tower, Newcastle University, Newcastle–upon- Tyne, NE1 7RH United Kingdom of Great Britain and Northern Ireland
  • Centre for Integrated Systems Biology of Ageing and Nutrition, Newcastle University, NE1 7RH, United Kingdom of Great Britain and Northern Ireland
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Published Online: 2016-10-18 | DOI: https://doi.org/10.1515/jib-2010-116

Summary

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.

About the article

Published Online: 2016-10-18

Published in Print: 2010-12-01


Citation Information: Journal of Integrative Bioinformatics, Volume 7, Issue 3, Pages 15–27, ISSN (Online) 1613-4516, DOI: https://doi.org/10.1515/jib-2010-116.

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© 2010 The Author(s). Published by Journal of Integrative Bioinformatics.. This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 License. BY-NC-ND 4.0

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[1]
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