Predicting protein druggability

New experimental and computational approaches promise to rapidly and reliably identify druggable, disease-modifying targets and thereby streamline the drug discovery process. The ability to predict whether a particular protein can bind with high affinity and specificity to small, drug-like compounds...

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Bibliographic Details
Published in:Drug discovery today 2005-12, Vol.10 (23-24), p.1675-1682
Main Authors: Hajduk, Philip J., Huth, Jeffrey R., Tse, Christin
Format: Article
Language:English
Subjects:
binding site
Binding Sites
Biological and medical sciences
Computational Biology
Drug Design
druggability
General pharmacology
Genomics
Ligands
Medical sciences
NMR-based screening
Pharmaceutical technology. Pharmaceutical industry
Pharmacology. Drug treatments
Protein Binding
Protein Conformation
Protein Data Bank
Proteins - chemistry
Proteins - metabolism
target identification
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Summary:New experimental and computational approaches promise to rapidly and reliably identify druggable, disease-modifying targets and thereby streamline the drug discovery process. The ability to predict whether a particular protein can bind with high affinity and specificity to small, drug-like compounds based solely on its 3D structure has been a longstanding goal of structural biologists and computational scientists. The promise is that an accurate prediction of protein druggability can capitalize on the huge investments already made in structural genomics initiatives by identifying highly druggable proteins and using this information in target identification and validation campaigns. Here we discuss the potential utility of tools that characterize protein targets and describe strategies for the optimal integration of protein druggability data with bioinformatic approaches to target selection.
ISSN:1359-6446
1878-5832
DOI:10.1016/S1359-6446(05)03624-X