Modelling of compound combination effects and applications to efficacy and toxicity: state-of-the-art, challenges and perspectives
Bulusu, Krishna C. and Guha, Rajarshi and Mason, Daniel J. and Lewis, Richard P. I. and Muratov, Eugene and Motamedi, Yasaman Kalantar and Çokol, Murat and Bender, Andreas (2015) Modelling of compound combination effects and applications to efficacy and toxicity: state-of-the-art, challenges and perspectives. Drug Discovery Today . ISSN 1359-6446 (Print) 1878-5832 (Online) Published Online First http://dx.doi.org/10.1016/j.drudis.2015.09.003
Official URL: http://dx.doi.org/10.1016/j.drudis.2015.09.003
The development of treatments involving combinations of drugs is a promising approach towards combating complex or multifactorial disorders. However, the large number of compound combinations that can be generated, even from small compound collections, means that exhaustive experimental testing is infeasible. The ability to predict the behaviour of compound combinations in biological systems, whittling down the number of combinations to be tested, is therefore crucial. Here, we review the current state-of-the-art in the field of compound combination modelling, with the aim to support the development of approaches that, as we hope, will finally lead to an integration of chemical with systems-level biological information for predicting the effect of chemical mixtures.
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