A
pharmacophore is an abstract description of molecular features which are necessary for
molecular recognition of a ligand by a biological
macromolecule. The
IUPAC defines a pharmacophore to be "an ensemble of steric and electronic features that is necessary to ensure the optimal supramolecular interactions with a specific biological target and to trigger (or block) its biological response". A pharmacophore model explains how structurally diverse ligands can bind to a common receptor site. Furthermore pharmacophore models can be used to identify through
denovo design or
virtual screening novel ligands that will bind to the same receptor.