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

被引：62

作者：

Calderon, Felix ^{[1
]}

Barros, David ^{[1
]}

Maria Bueno, Jose ^{[1
]}

Miguel Coteron, Jose ^{[1
]}

Fernandez, Esther ^{[1
]}

Javier Gamo, Francisco ^{[1
]}

Luis Lavandera, Jose ^{[1
]}

Luisa Leon, Maria ^{[1
]}

Macdonald, Simon J. F. ^{[2
]}

Mallo, Araceli ^{[1
]}

Manzano, Pilar ^{[1
]}

Porras, Esther ^{[1
]}

Maria Fiandor, Jose ^{[1
]}

Castro, Julia ^{[1
]}

机构：

[1] GlaxoSmithKline, DDW, Tres Cantos 28760, Spain

[2] MMV, CH-1215 Geneva 15, Switzerland

来源：

ACS MEDICINAL CHEMISTRY LETTERS | 2011年 / 2卷 / 10期

关键词：

Malaria; TCAMS; lead optimization; open innovation; PLASMODIUM-FALCIPARUM;

D O I：

10.1021/ml200135p

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

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 13,533 2948 lead optimization. Their structures are provided. We invite potential collaborators to work with us to discover new clinical candidates.

引用

页码：741 / 746

页数：6

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