An Invitation to Open Innovation in Malaria Drug Discovery: 47 Quality Starting Points from the TCAMS
ACS Medicinal Chemistry Letters2011Vol. 2(10), pp. 741–746
Citations Over TimeTop 10% of 2011 papers
Félix Calderón, David Barros, José M. Bueno, José M. Coterón, Esther Fernández, Francisco‐Javier Gamo, José Luís Lavandera, María Luisa León, Simon J. F. Macdonald, Araceli Mallo, Pilar Manzano, Esther Porras, José M. Fiandor, Julia Castro
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.
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