Pharmacophore
Pharmacophore (pronounced: /ˈfɑːrməkəˌfɔːr/) is a term used in the field of pharmaceutical chemistry to describe the features that are necessary for a molecule to have in order to interact with a specific biological target. The term was first coined in the early 20th century and is derived from the Greek words pharmakon meaning drug, and phoros meaning carrier.
Definition
A pharmacophore is an abstract description of molecular features which are necessary for molecular recognition of a ligand by a biological macromolecule.
Components
A pharmacophore model includes a set of chemical groups and features that are necessary to ensure optimal supramolecular interactions with a specific biological target and to trigger (or block) its biological response. The main components of a pharmacophore are hydrophobic centroids, hydrogen bond acceptors and donors, aromatic rings, and positive and negative ionizable areas.
Applications
Pharmacophore models are used in the design of new drugs, in the study of drug metabolism, and in the prediction of the activity of drugs. They are also used in drug discovery to identify new compounds that could have a desired biological effect.
Related Terms
- Ligand
- Biological Target
- Molecule
- Pharmaceutical Chemistry
- Supramolecular Chemistry
- Drug Discovery
- Drug Metabolism
External links
- Medical encyclopedia article on Pharmacophore
- Wikipedia's article - Pharmacophore
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