Predicting reactivity to drug metabolism: beyond CYPs
Introduction Predicting sites of metabolism (SoM) enable chemists to be more efficient in optimising the structure of new chemical entities…
The Metabolism module enables you to accurately predict the major metabolic routes, sites, products and lability of Phase I and II metabolism of your compounds.
Using this module you can:
- Determine how to design new compounds for greater metabolic stability.
- Identify compounds with multiple routes of metabolism to avoid potential drug–drug interactions or issues due to genetic polymorphisms.
- Pinpoint the most important enzymes to ensure coverage during preclinical studies.
Watch the video for an overview of the module’s key features and how to make the most of them to gain greater insight into the metabolism of your compounds.
Would like to know more?
More drug metabolism resources
Perfecting the use of imperfect QSAR models
In this webinar, we examine the effective use of QSAR modelling in drug discovery and discuss a variety of pain points for medicinal chemists in knowing when a model can be trusted and how to avoid common pitfalls.
