title: An Invitation to Open Innovation in Malaria Drug Discovery: 47 Quality Starting Points from the TCAMS.
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.
authors.affiliation: Tres Cantos Medicines Development Campus, DDW, GlaxoSmithKline , Severo Ochoa 2, 28760 Tres Cantos, Spain.
authors.forename: Félix
authors.initials: F
authors.lastname: Calderón
authors.affiliation: Tres Cantos Medicines Development Campus, DDW, GlaxoSmithKline , Severo Ochoa 2, 28760 Tres Cantos, Spain.
authors.forename: David
authors.initials: D
authors.lastname: Barros
authors.affiliation: Tres Cantos Medicines Development Campus, DDW, GlaxoSmithKline , Severo Ochoa 2, 28760 Tres Cantos, Spain.
authors.forename: José María
authors.initials: JM
authors.lastname: Bueno
authors.affiliation: Tres Cantos Medicines Development Campus, DDW, GlaxoSmithKline , Severo Ochoa 2, 28760 Tres Cantos, Spain.
authors.forename: José Miguel
authors.initials: JM
authors.lastname: Coterón
authors.affiliation: Tres Cantos Medicines Development Campus, DDW, GlaxoSmithKline , Severo Ochoa 2, 28760 Tres Cantos, Spain.
authors.forename: Esther
authors.initials: E
authors.lastname: Fernández
authors.affiliation: Tres Cantos Medicines Development Campus, DDW, GlaxoSmithKline , Severo Ochoa 2, 28760 Tres Cantos, Spain.
authors.forename: Francisco Javier
authors.initials: FJ
authors.lastname: Gamo
authors.affiliation: Tres Cantos Medicines Development Campus, DDW, GlaxoSmithKline , Severo Ochoa 2, 28760 Tres Cantos, Spain.
authors.forename: José Luís
authors.initials: JL
authors.lastname: Lavandera
authors.affiliation: Tres Cantos Medicines Development Campus, DDW, GlaxoSmithKline , Severo Ochoa 2, 28760 Tres Cantos, Spain.
authors.forename: María Luisa
authors.initials: ML
authors.lastname: León
authors.affiliation: Medicines for Malaria Venture (MMV) , 20, route de Pré-Bois-PO Box 1826, 1215 Geneva 15, Switzerland.
authors.forename: Simon J F
authors.initials: SJ
authors.lastname: Macdonald
authors.affiliation: Tres Cantos Medicines Development Campus, DDW, GlaxoSmithKline , Severo Ochoa 2, 28760 Tres Cantos, Spain.
authors.forename: Araceli
authors.initials: A
authors.lastname: Mallo
authors.affiliation: Tres Cantos Medicines Development Campus, DDW, GlaxoSmithKline , Severo Ochoa 2, 28760 Tres Cantos, Spain.
authors.forename: Pilar
authors.initials: P
authors.lastname: Manzano
authors.affiliation: Tres Cantos Medicines Development Campus, DDW, GlaxoSmithKline , Severo Ochoa 2, 28760 Tres Cantos, Spain.
authors.forename: Esther
authors.initials: E
authors.lastname: Porras
authors.affiliation: Tres Cantos Medicines Development Campus, DDW, GlaxoSmithKline , Severo Ochoa 2, 28760 Tres Cantos, Spain.
authors.forename: José María
authors.initials: JM
authors.lastname: Fiandor
authors.affiliation: Tres Cantos Medicines Development Campus, DDW, GlaxoSmithKline , Severo Ochoa 2, 28760 Tres Cantos, Spain.
authors.forename: Julia
authors.initials: J
authors.lastname: Castro
keywords: Malaria; TCAMS; lead optimization; open innovation