Metabolite profiling

Administered drugs are subject to metabolism. Resultant metabolites might have pharmacological effect or even pose toxic risk on organism, it is therefore necessary to identify and evaluate them in terms of safety. Metabolite identification enables then the elimination of risk of potential metabolic issues of the new chemical entities. Before entering the clinical phase the metabolic pathways of potential drug candidates chosen for development should be well characterized.
Studies on metabolism will consist of two modules. The first module will be based the prediction of the possible drug metabolites. Molecular masses of the possible metabolites will be obtained together with the predicted mass list, which can be further processed in the MSn experiments or used for the detection of metabolites, which comprises for the second module. The second module, which aims the detection of metabolites, is based on their detection in in vitro (human and rat microsomes) and in vivo samples (mouse and rat).