An Invitation to Open Innovation in Malaria Drug Discovery: 47 Quality Starting Points from the TCAMS
Félix Calderón1, David Barros1, José María Bueno1
1Tres Cantos Medicines Development Campus, DDW, GlaxoSmithKline , Severo Ochoa 2, 28760 Tres Cantos, Spain.
ACS Medicinal Chemistry Letters
|June 6, 2014
Abstract:
In 2010, GlaxoSmithKline published the structures of 13533 chemical starting points for antimalarial lead identification. By using an agglomerative structural clustering technique followed by computational filters such as antimalarial activity, physicochemical properties, and dissimilarity to known antimalarial structures, we have identified 47 starting points for lead optimization. Their structures are provided. We invite potential collaborators to work with us to discover new clinical candidates.