Structural biology and bioinformatics in drug design: opportunities and challenges for target identification and lead discovery
Autor/innen
- T.L. Blundell
- B.L. Sibanda
- R.W. Montalvão
- S. Brewerton
- V. Chelliah
- C.L. Worth
- N.J. Harmer
- O. Davies
- D. Burke
Journal
- Philosophical Transactions of the Royal Society of London Series B Biological Sciences
Quellenangabe
- Philos Trans R Soc Lond B Biol Sci 361 (1467): 413-423
Zusammenfassung
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.