An Invitation to Open Innovation in Malaria Drug Discovery: 47 Quality Starting Points from the TCAMS

Overview

Journal ACS Med Chem Lett

Publisher American Chemical Society

Specialty Chemistry

Date 2014 Jun 6

PMID 24900261

Citations 25

Authors

Felix Calderon

David Barros

Jose Maria Bueno

Jose Miguel Coteron

Esther Fernandez

Francisco Javier Gamo

Jose Luis Lavandera

Maria Luisa Leon

Simon J F Macdonald

Araceli Mallo

Pilar Manzano

Esther Porras

Jose Maria Fiandor

Julia Castro

Affiliations

Soon will be listed here.

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.

Citing Articles

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New targets for antimalarial drug discovery.

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Substituted Aminoacetamides as Novel Leads for Malaria Treatment.

Norcross N, Wilson C, Baragana B, Hallyburton I, Osuna-Cabello M, Norval S ChemMedChem. 2019; 14(14):1329-1335.

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Structural Insights Into Key Proteases as Therapeutic Drug Targets.

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