Unexpected metabolism leads to the late-stage failure of many drug candidates and even the withdrawal of approved drugs. Therefore, it is important to predict the sites of metabolism and metabolites of potential drug molecules during early research to reduce risks and aid the identification of metabolites from in vitro/in vivo experiments.

In this hands-on training session, we will use Optibrium’s Phase I and Phase II metabolism models to elucidate the metabolism of a lead compound, Buspirone and apply this understanding to design new compounds with improved metabolic stability. We will then go beyond P450s to explore additional Phase I and Phase II metabolism models, preclinical metabolism predictions, and metabolic pathway analysis.

This training will enable you to answer questions like:

  • Which enzymes are responsible for my compound’s metabolism?
  • My compound is metabolically unstable. How can I design a new compound with improved metabolic stability?
  • How can I reduce the risk of drug-drug interactions?
  • Identify compounds with multiple routes of clearance, e.g. multiple enzyme families or isoforms?
  • Which metabolites will be formed from my compound?
  • Help me to interpret the results of my Metabolite ID experiments
  • Are any of them likely to be active, reactive or toxic?
  • Which species are most likely to give me appropriate coverage of metabolites in my preclinical toxicity studies?

This training can be accessed from StarDrop or Semeta.

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