Journal
CLINICAL PHARMACOLOGY & THERAPEUTICS
Volume 92, Issue 5, Pages 661-665Publisher
NATURE PUBLISHING GROUP
DOI: 10.1038/clpt.2012.164
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Funding
- National Institutes of Health grant [DK67530]
- National Institute of Diabetes and Digestive and Kidney Diseases [1R01DK080801]
- National Research Service Award [DK752422]
- National Institute of Environmental Health Sciences [5P30ES006694]
- National Heart, Lung, and Blood Institute [5T32HL07249]
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We have seen an increased use of computational approaches to predicting drug interactions with human transporters that affect drug disposition and may lead to toxicity. These predominantly ligand-based methods use limited experimental data but provide new insights into structure-activity relationships (SARs). The promiscuity of ligand interaction with transporters represents a challenge to computational methods. Development of models capable of identifying new transport substrates and unwanted drug-drug interactions requires novel applications of current computational methods.
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