A pharmacophore is a conceptual explanation of molecular features that are essential for molecular identification of a ligand by a biological macromolecule. The IUPAC explains 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 illustrates how structurally dissimilar ligands can combine to a common receptor site. Additionally pharmacophore models are used to classify denovo design or virtual screening novel ligands which will attach to the identical receptor. Characteristic pharmacophore aspects comprise of aromatic rings, hydrophobic centroids, hydrogen bond acceptors or donor, cations, and anions. These pharmacophoric points may be positioned on the ligand itself or may be predictable points supposed to be located in the receptor. The features required to match diverse chemical groups with alike properties, in order to make out new ligands. Ligand-receptor interactions are characteristically âpolar positiveâ, âpolar negativeâ or âhydrophobicâ. A precise pharmacophore model subsumes both hydrophobic volumes and hydrogen bond vectors. In modern drug designing, pharmacophores are used to describe the vital features of one or more molecules with the similar biological activity. A database of assorted chemical compounds can then be searched for more molecules which share the same features set in the same relative orientation.
Last date updated on June, 2014