Show results for
  • Sygnature
  • News
  • Drug Discovery
  • Therapeutic Areas
  • Events
  • Vacancies

Ligand-Based Drug Design

In the absence of reliable protein structural information, Sygnature is equipped to apply a range of ligand-based tools to advance the drug discovery process at different stages.

  • Scaffold hopping and fragment replacement tools have proven very effective as a strategy to generate novel IP and ideas for back-up series or to replace a structural element associated with metabolic instability or unwanted properties.
  • Several pharmacophoric techniques and alignment methods based on ligand shape and electrostatic similarity can be used to compare different series of compounds and their structure-activity relationship (SAR) data or for virtual screening to rapidly identify novel potentially active compounds.
  • Local QSAR models, Free-Wilson models and matched molecular pair analysis based on project data can be used to predict potency to the target of interest or ADMET properties for new compounds.
  • Conformational analysis and QM geometry optimization provides an understanding compound flexibility and its predisposition for the optimal bioactive conformation.

 

Get in Touch

For more details on how we can provide innovative support to your project please use this contact form.

CTA Form