In medicinal chemistry and molecular biology, a pharmacophore is an abstract description of molecular features that are necessary for molecular recognition of a ligand by a biological macromolecule.

In other terms, “a pharmacophore is the arrangement of a molecule’s characteristics that are accountable for a biological effect.” A pharmacophore is formed by a set of characteristics features …

Pharmacophore approaches represent one of the most interesting tools developed, by defining the molecular functional features needed for the binding of a molecule to a given receptor, and then …

May 21, 2025 · At its core, a pharmacophore is an abstract representation of molecular features necessary for a compound to interact with a specific biological target, such as a protein receptor or …

Jun 10, 2025 · The pharmacophore is responsible for the molecular recognition between the drug and its target, enabling the drug to bind selectively to its intended target. The pharmacophore can be …

Pharmacophores are key molecular features that drive drug-target interactions. They represent the essential 3D arrangement of chemical groups responsible for a compound's biological activity. …

Apr 18, 2023 · The pharmacophore concept was first put forward as a useful picture of drug interactions almost a century ago, and with the rise in computational power over the last few decades, has …

Jan 1, 2017 · In general terms, a pharmacophore is best defined as the arrangement of those substructures or functional groups in an active compound that are crucial for its activity.

May 21, 2025 · A pharmacophore represents the essential features responsible for a drug molecule's biological activity. These features can include hydrogen bond acceptors and donors, aromatic rings, …

Jun 9, 2025 · Pharmacophore is closely related to molecular recognition and binding, as it describes the specific interactions between a ligand and its target protein. The pharmacophore features are …