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

Item Type:Article
Title:Structural biology and bioinformatics in drug design: opportunities and challenges for target identification and lead discovery
Creators Name:Blundell, T.L. and Sibanda, B.L. and Montalvão, R.W. and Brewerton, S. and Chelliah, V. and Worth, C.L. and Harmer, N.J. and Davies, O. and Burke, D.
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.
Keywords:Computational Biology, Drug Design, Preclinical Drug Evaluation, Protein Conformation, Substrate Specificity
Source:Philosophical Transactions of the Royal Society of London Series B Biological Sciences
ISSN:0962-8436
Publisher:Royal Society of London (U.K.)
Volume:361
Number:1467
Page Range:413-423
Date:29 March 2006
Official Publication:https://doi.org/10.1098/rstb.2005.1800
PubMed:View item in PubMed

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