Metabolite identification and analysis
Metabolism prediction of chemicals within drug development
Identification and analysis of metabolic fate of a chemical substance and the associated potential toxicity of the parent compound, or its metabolites, is a critical aspect of drug development.
Metabolic understanding in early drug research can save time in drug development and enhance the late-stage drug survival rate.
Computational approaches for the prediction of metabolic fate have been developed to support early screening for metabolites and greater transparency and control over metabolic fate.
Our solution
Meteor Nexus is an in silico software solution which can help you to increase your understanding of the metabolic fate associated with your chemical substance.
Meteor Nexus highlights
Identify metabolites
In-depth knowledge of metabolic transformations and filtering options within Meteor Nexus helps with structure elucidation of experimentally observed metabolites.
Analyse metabolite predictions
Meteor Nexus metabolic fate predictions are clearly presented and contain detailed supporting evidence associated with the biotransformations predicted.
Access metabolism knowledge
We continuously improve and add to the knowledge within Meteor Nexus, utilising both public and proprietary data, resulting in vast coverage of biotransformations.
Regulatory support
ICH M7
The identification and analysis of metabolites of chemical compounds allows for the control of toxic metabolites earlier in the drug screening process.
ICH M7 calls for greater reporting and control of impurities in drug substances at lower levels based on the threshold of toxicological concern and daily dose. In cases where a metabolite has been identified as an impurity of a drug substance, further analysis is required to assess the potential toxicity of the metabolites.
Metabolites in Safety Testing
The safety of metabolites is an important consideration in the development of drugs. Meteor Nexus can be used in conjunction with our toxicity prediction software, Derek Nexus, to anticipate toxicity associated with metabolites.
Related publications
Paper
- Jan 2017
- Metabolite identification and analysis
Paper
- Oct 2016
- Metabolite identification and analysis
Paper
- Apr 2015
- Metabolite identification and analysis
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