What Is Pharmacophore Mapping

A 3D pharmacophore specifies the spatial relationships between the groups. … The objective of a procedure known as pharmacophore mapping is to determine possible 3D pharmacophores for a series of active compounds. Once a pharmacophore has been developed it can then be used to find or suggest other active molecules:2.

Which software is used for pharmacophore mapping?

SoftwareDescriptionPharmapperIt contains a database repository of about 7000 targets based pharmacophore models. Based on triangle hashing based method, it finds the best matching poses of input ligand against all known pharmacophore based models.

What is pharmacophore modeling in drug design?

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 now extends to lead optimization.