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PMID: 16524830 Published · ppublish English Journal Article Review

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

Philosophical transactions of the Royal Society of London. Series B, Biological sciences ·Vol. 361 ·No. 1467 ·2006-03-29 ·Pages 413-23

Blundell TL, Sibanda BL, Montalvão RW, Brewerton S, Chelliah V, Worth CL, Harmer NJ, Davies O, 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.

MeSH Terms
Computational Biology Drug Design Drug Evaluation, Preclinical Humans Protein Conformation Substrate Specificity
Authors & Affiliations
9 authors, click to expand affiliations / ORCID
Blundell Tom L
Department of Biochemistry, University of Cambridge 80 Tennis Court Road, Cambridge CB2 1GA, UK. tom@cryst.bioc.cam.ac.uk
Sibanda Bancinyane L
Montalvão Rinaldo Wander
Brewerton Suzanne
Chelliah Vijayalakshmi
Worth Catherine L
Harmer Nicholas J
Davies Owen
Burke David
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Article Info
Journal
Philosophical transactions of the Royal Society of London. Series B, Biological sciences
Abbr.
Philos Trans R Soc Lond B Biol Sci
ISSN
0962-8436
DOI
10.1098/rstb.2005.1800
Email
tom@cryst.bioc.cam.ac.uk
Published
2006-03-29
Pages
413-23
Language
English
Region
England
NLM ID
7503623
PMCID
PMC1609333
Subset
IM
External Links
PubMed source DOI: 10.1098/rstb.2005.1800 PMC Full Text View journal details
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