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Optimal Drug Binding Parameters

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.

  1. Built a systems pharmacology model that included on- and off-target binding
  2. Ran a parameter space study to determine optimal drug properties
  3. 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