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Drug Discovery
Designing Multi-Target Drugs
Hardback ISBN:
978-1-84973-362-5
PDF ISBN:
978-1-84973-491-2
Special Collection:
2012 ebook collection
,
2011-2015 industrial and pharmaceutical chemistry subject collection
Series:
Drug Discovery Series
No. of Pages:
394
Published online:
28 Mar 2012
Published in print:
12 Apr 2012
Book Chapter
Chapter 4: Chemoinformatic Approaches to Target Identification
By
Elisabet Gregori-Puigjané
;
Elisabet Gregori-Puigjané
UCSF Department of Pharmaceutical Chemistry
UCSF MC 2550, 1700 4th St, San Francisco
CA 94158
USA
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Michael J. Keiser
Michael J. Keiser
UCSF Department of Pharmaceutical Chemistry
UCSF MC 2550, 1700 4th St, San Francisco
CA 94158
USA
SeaChange Pharmaceuticals Inc.
QB3 MC 2522, 1700 4th St Ste 214, San Francisco
CA 94158-2330
USA
[email protected]
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Published:28 Mar 2012
-
Special Collection: 2012 ebook collection , 2011-2015 industrial and pharmaceutical chemistry subject collectionSeries: Drug Discovery Series
Page range:
50 - 65
Citation
E. Gregori-Puigjané and M. J. Keiser, in Designing Multi-Target Drugs, ed. J. R. Morphy and C. J. Harris, The Royal Society of Chemistry, 2012, ch. 4, pp. 50-65.
Download citation file:
Many on-market drugs bind to multiple protein targets at therapeutic concentrations. Such ‘off-target’ binding contributes to drug efficacy and also to adverse drug effects. In some cases, newly identified off-targets may represent drug repositioning opportunities. This chapter presents chemoinformatic methods used to predict drug off-target binding on a broad scale, in the context of their application to target identification and target-specific toxicity.
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