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Curr Opin Struct Biol. 2011 Apr;21(2):189-99. doi: 10.1016/ Epub 2011 Feb 1.

Structure-based systems biology for analyzing off-target binding.

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  • 1Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, MC9743, 9500 Gilman Drive, La Jolla, CA 92093, USA.


Here off-target binding implies the binding of a small molecule of therapeutic interest to a protein target other than the primary target for which it was intended. Increasingly such off-targeting appears to be the norm rather than the exception, rational drug design notwithstanding, and can lead to detrimental side-effects, or opportunities to reposition a therapeutic agent to treat a different condition. Not surprisingly, there is significant interest in determining a priori what off-targets exist on a proteome-wide scale. Beyond determining putative off-targets is the need to understand the impact of such binding on the complete biological system, with the ultimate goal of being able to predict the phenotypic outcome. While a very ambitious goal, some progress is being made.

Copyright © 2011 Elsevier Ltd. All rights reserved.

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