Pharmacophore Elucidation

Aim: To develop a programme to identify structural features common to molecules that have already been shown to be biologically active. The GASP programme was developed alongside the GOLD programme and was subsequently commercialised by the US chemoinformatics company Tripos. A subsequent collaboration with Tripos led to the development of a new program also distributed by Tripos called GALAHAD which incorporates an improved method for superimposing molecules. Both GASP and GALAHAD have been licensed by many of the world’s leading pharmaceutical companies. The group has continued to work in this area through collaboration with AstraZeneca and the Cambridge Crystallographic Data Centre.

Sponsor: AstraZeneca