Parallel pharmacophore-based virtual screening

D. Example Parallel pharmacophore-based virtual screening... 

SOSA together with parallel pharmacophore-based virtual screening or other informatics-based molecular building tools is a straightforward and fairly... 

Steindl, T. M., Schuster, D., Wolber, G., Laggner, C., Langer, T. High-throughput structure-based pharmacophore modelling as a basis for successful parallel virtual screening. J. Comput.-Aided Mol. Des. 2006, 20, 703-715. 

Naerum et al. [133] used topological pharmacophores to search for novel glycogen synthase kinase-3 inhibitors at Novo Nordisk. Using virtual screening based on the CATS descriptor, a novel chemotype with activity against GSK-3 was identified. After parallel synthesis around the identified motifs, interesting inhibitors with GSK-3 activity <1 [xM were found (Figure 12.11a). 

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