Diamond: shedding light on structure-based drug discovery

Structure-based drug design has become a key tool for the development of novel drugs. The process involves elucidating the three-dimensional structure of the potential drug molecule bound to the target protein that has been identified as playing a key role in the disease state. Using this three-dime...

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Bibliographic Details
Published in:Philosophical transactions of the Royal Society of London. Series A: Mathematical, physical, and engineering sciences physical, and engineering sciences, 2015-03, Vol.373 (2036), p.20140468
Main Authors: Brown, David G., Shotton, Elizabeth J.
Format: Article
Language:English
Subjects:
Automation
Binding Sites
Biology - methods
Biotechnology - methods
Chemistry, Pharmaceutical - methods
Crystallography
Crystallography, X-Ray - methods
Drug Design
Humans
Structure-Based Drug Design
Synchrotron Radiation
Synchrotrons
Technology, Pharmaceutical - methods
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Summary:Structure-based drug design has become a key tool for the development of novel drugs. The process involves elucidating the three-dimensional structure of the potential drug molecule bound to the target protein that has been identified as playing a key role in the disease state. Using this three-dimensional information facilitates the process of making improvements to the potential drug molecule by highlighting existing and possible new interactions within the binding site. This knowledge is used to inform increases in potency and selectivity of the molecules as well as to help improve other drug-like properties. The speed and numbers of samples that can be studied, combined with the improved resolution of the structures that can be obtained using synchrotron radiation, have had a significant impact on the utilization of crystallography in the drug discovery process.
ISSN:1364-503X
1471-2962
DOI:10.1098/rsta.2014.0468