Using reagent databases to find the next move – accelerating lead optimization with bioisosteres
29 Apr 2014 - 29 Apr 2014 - Webinar
Searching for bioisosteres for the core of your molecule is a well-established technique for solving ADMET or IP issues during drug discovery. However, changing the core of the molecule is a major undertaken often requiring a re-investigation of the synthetic route and available analogues.
Using bioisosteres to change the terminal or leaf groups on a core has the potential to shorten the drug discovery process by taking leap-frogging through the potential SAR towards the ultimate aim – a high potency compound with the best balance of ADMET and IP properties.
We will discuss an approach to finding bioisosteres for pendant groups that uses the available reagents for introduction of that group to find the best possible ‘next move’.