Adding calorimetric data to decision making in lead discovery: a hot tip

• Published in: Nature reviews. Drug discovery Vol. 9; no. 1; pp. 23 - 27
• Main Authors: Ladbury, John E, Klebe, Gerhard, Freire, Ernesto
• Format: Journal Article Book Review
• Language: English
• Published: London Nature Publishing Group UK 01.01.2010; Nature Publishing Group
• Subjects: 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; United States

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...