The term pharmacophore has been used in medicinal chemistry for many years. The official
1998 IUPAC definition1 is as follows:“A pharmacophore is the ensemble of steric and …

While the chemist of today faces many exciting and stimulating challenges, perhaps the
most demanding, promising, and rewarding one is the rational design of novel therapeutic …

Pharmacophore-based techniques currently are an integral part of many computer-aided
drug design workflows and have been successfully and extensively applied for tasks such …

Pharmacophore discovery is one of the major elements of molecular modeling in the
absence of X-ray structural data. While pharmacophores initially made their debut as a …

A new 4-point pharmacophore method for molecular similarity and diversity that rapidly
calculates all potential pharmacophores/pharmacophoric shapes for a molecule or a protein …

In this chapter we review the use of 3-D pharmacophores in drug discovery. Recent
advances are highlighted, including the application of pharmacophore descriptors …

Perceiving a pharmacophore is the first essential step towards understanding the interaction
between a receptor and a ligand. Once a pharmacophore is established, a beneficial use of …

This review is intended to describe some of the methods and procedures used for computer-
aided drug design when the structure of the macromolecular target is unknown, as is the …

The most common pharmacophore building concepts based on either 3D structure of the
target or ligand information are discussed together with the application of such models as …

Pharmacophore mapping is one of the major elements of drug design in the absence of
structural data of the target receptor. The tool initially applied to discovery of lead molecules …