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Structural biology and bioinformatics in drug design: opportunities and challenges for target identification and lead discovery.

ABSTRACT: Impressive progress in genome sequencing, protein expression and high-throughput crystallography and NMR has radically transformed the opportunities to use protein three-dimensional structures to accelerate drug discovery, but the quantity and complexity of the data have ensured a central place for informatics. Structural biology and bioinformatics have assisted in lead optimization and target identification where they have well established roles; they can now contribute to lead discovery, exploiting high-throughput methods of structure determination that provide powerful approaches to screening of fragment binding.

SUBMITTER: Blundell TL

PROVIDER: S-EPMC1609333 | biostudies-literature | 2006 Mar

REPOSITORIES: biostudies-literature

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Structural biology and bioinformatics in drug design: opportunities and challenges for target identification and lead discovery.

Blundell Tom L TL Sibanda Bancinyane L BL Montalvão Rinaldo Wander RW Brewerton Suzanne S Chelliah Vijayalakshmi V Worth Catherine L CL Harmer Nicholas J NJ Davies Owen O Burke David D

Philosophical transactions of the Royal Society of London. Series B, Biological sciences 20060301 1467

Impressive progress in genome sequencing, protein expression and high-throughput crystallography and NMR has radically transformed the opportunities to use protein three-dimensional structures to accelerate drug discovery, but the quantity and complexity of the data have ensured a central place for informatics. Structural biology and bioinformatics have assisted in lead optimization and target identification where they have well established roles; they can now contribute to lead discovery, explo ...[more]

PMID: 16524830

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