"Scaffold-Hopping" by Topological Pharmacophore Search: A Contribution to Virtual Screening.
A chemically advanced template search (CATS) based on topological pharmacophore models has been developed as a technique for virtual screening. This technique has successfully identified novel potent Ca(2+) antagonists (such as 2) that have a similar activity to 1 (a known T-channel blocking agent) in a library of several hundred thousand compounds on the basis of a correlation vector representation.
Schneider
G
F. Hoffmann-La Roche Ltd, Pharmaceuticals Division, CH-4070 Basel (Switzerland).
Neidhart
W
Giller
T
Schmid
G