Adding calorimetric data to decision making in lead discovery: a hot tip
Isothermal titration calorimetry can be used to obtain thermodynamic data on the binding of compounds to protein targets. Ladbury and colleagues propose that these data — particularly the change in enthalpy — could be a valuable addition to established tools for selecting compounds in lead discovery...
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Published in | Nature reviews. Drug discovery Vol. 9; no. 1; pp. 23 - 27 |
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Main Authors | , , |
Format | Journal Article Book Review |
Language | English |
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Nature Publishing Group UK
01.01.2010
Nature Publishing Group |
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Abstract | Isothermal titration calorimetry can be used to obtain thermodynamic data on the binding of compounds to protein targets. Ladbury and colleagues propose that these data — particularly the change in enthalpy — could be a valuable addition to established tools for selecting compounds in lead discovery and for aiding lead optimization.
Recognition of the limitations of high-throughput screening approaches in the discovery of candidate drugs has reawakened interest in structure-based and other rational design methods. Here, we describe how isothermal titration calorimetry can be used to obtain thermodynamic data on the binding of compounds to protein targets. We propose that these data — particularly the change in enthalpy — could provide a valuable, complementary addition to established tools for selecting compounds in lead discovery and for aiding lead optimization. |
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AbstractList | Isothermal titration calorimetry can be used to obtain thermodynamic data on the binding of compounds to protein targets. Ladbury and colleagues propose that these data — particularly the change in enthalpy — could be a valuable addition to established tools for selecting compounds in lead discovery and for aiding lead optimization.
Recognition of the limitations of high-throughput screening approaches in the discovery of candidate drugs has reawakened interest in structure-based and other rational design methods. Here, we describe how isothermal titration calorimetry can be used to obtain thermodynamic data on the binding of compounds to protein targets. We propose that these data — particularly the change in enthalpy — could provide a valuable, complementary addition to established tools for selecting compounds in lead discovery and for aiding lead optimization. Recognition of the limitations of high-throughput screening approaches in the discovery of candidate drugs has reawakened interest in structure-based and other rational design methods. Here, we describe how isothermal titration calorimetry can be used to obtain thermodynamic data on the binding of compounds to protein targets. We propose that these data--particularly the change in enthalpy--could provide a valuable, complementary addition to established tools for selecting compounds in lead discovery and for aiding lead optimization. |
Audience | Academic |
Author | Klebe, Gerhard Freire, Ernesto Ladbury, John E |
Author_xml | – sequence: 1 givenname: John E surname: Ladbury fullname: Ladbury, John E organization: University of Texas, M. D. Anderson Cancer Center – sequence: 2 givenname: Gerhard surname: Klebe fullname: Klebe, Gerhard organization: Institut für Pharmazeutische Chemie, Philipps-Universität Marburg, Marbacher Weg 635032 Marburg – sequence: 3 givenname: Ernesto surname: Freire fullname: Freire, Ernesto organization: Department of Biology, Johns Hopkins University |
BackLink | https://www.ncbi.nlm.nih.gov/pubmed/19960014$$D View this record in MEDLINE/PubMed |
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Snippet | Isothermal titration calorimetry can be used to obtain thermodynamic data on the binding of compounds to protein targets. Ladbury and colleagues propose that... Recognition of the limitations of high-throughput screening approaches in the discovery of candidate drugs has reawakened interest in structure-based and other... |
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SubjectTerms | Biomedical and Life Sciences Biomedicine Biotechnology Calorimetry Calorimetry - methods Cancer Research Decision Making Drug Design Drug Discovery - methods Drug Industry - methods Drug metabolism innovation Measurement Medicinal Chemistry Molecular Medicine Pharmacology/Toxicology Physiological aspects Protein Binding Thermodynamics |
Title | Adding calorimetric data to decision making in lead discovery: a hot tip |
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