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- Publisher
- Oxford University Press
- Copyright
- The Author 2011. Published by Oxford University Press. For Permissions, please email: [email protected]
- ISSN
- 1467-5463
- eISSN
- 1477-4054
- DOI
- 10.1093/bib/bbr011
- pmid
- 21441562
- Publisher site
- See Article on Publisher Site
Abstract
Developing a drug de novo is a laborious and costly endeavor. Thus, the repositioning of already approved drugs for the treatment of new diseases is promising and valuable. One computational approach to repositioning exploits the structural similarity of binding sites of known and new targets. Here, we review computational methods to represent and align binding sites. We review available tools, present success stories and discuss limits of the approach.
Journal
Briefings in Bioinformatics – Oxford University Press
Published: Jul 25, 2011
Keywords: drug repositioning ligand binding sites binding site similarity binding site comparison drug promiscuity