SwissTargetPrediction: a web server for target prediction of bioactive small molecules.

ABSTRACT: Bioactive small molecules, such as drugs or metabolites, bind to proteins or other macro-molecular targets to modulate their activity, which in turn results in the observed phenotypic effects. For this reason, mapping the targets of bioactive small molecules is a key step toward unraveling the molecular mechanisms underlying their bioactivity and predicting potential side effects or cross-reactivity. Recently, large datasets of protein-small molecule interactions have become available, providing a unique source of information for the development of knowledge-based approaches to computationally identify new targets for uncharacterized molecules or secondary targets for known molecules. Here, we introduce SwissTargetPrediction, a web server to accurately predict the targets of bioactive mole

SUBMITTER: Gfeller D 

PROVIDER: S-EPMC4086140 | biostudies-literature | 2014 Jul

REPOSITORIES: biostudies-literature