Prediction of effective drug combinations by chemical interaction, protein interaction and target enrichment of KEGG pathways.

ABSTRACT: Drug combinatorial therapy could be more effective in treating some complex diseases than single agents due to better efficacy and reduced side effects. Although some drug combinations are being used, their underlying molecular mechanisms are still poorly understood. Therefore, it is of great interest to deduce a novel drug combination by their molecular mechanisms in a robust and rigorous way. This paper attempts to predict effective drug combinations by a combined consideration of: (1) chemical interaction between drugs, (2) protein interactions between drugs' targets, and (3) target enrichment of KEGG pathways. A benchmark dataset was constructed, consisting of 121 confirmed effective combinations and 605 random combinations. Each drug combination was represented by 465 features derived

SUBMITTER: Chen L 

PROVIDER: S-EPMC3780555 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature