Determining Optimal Drug Binding Parameters
A competitor was ahead in the clinic with a tighter-binding molecule. The team was deciding between terminating the project or initiating a new round of lead generation and wanted advice on what affinity would be needed to be competitive.
- Built a systems pharmacology model that included on- and off-target binding
- Ran a parameter space study to determine optimal drug properties
- Determined that competitor's high affinity was a liability and that the in-house lead was superior.
- New lead identification was stopped
- Current lead was accelerated into development saving at least 6 months
- The optimal molecule was not discarded and is positioned to be best-in-class