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Higher throughput calorimetry: opportunities, approaches and challenges.

ABSTRACT: Higher throughput thermodynamic measurements can provide value in structure-based drug discovery during fragment screening, hit validation, and lead optimization. Enthalpy can be used to detect and characterize ligand binding, and changes that affect the interaction of protein and ligand can sometimes be detected more readily from changes in the enthalpy of binding than from the corresponding free-energy changes or from protein-ligand structures. Newer, higher throughput calorimeters are being incorporated into the drug discovery process. Improvements in titration calorimeters come from extensions of a mature technology and face limitations in scaling. Conversely, array calorimetry, an emerging technology, shows promise for substantial improvements in throughput and material utilization, but improved sensitivity is needed.

SUBMITTER: Torres FE

PROVIDER: S-EPMC2989423 | biostudies-literature | 2010 Oct

REPOSITORIES: biostudies-literature

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Higher throughput calorimetry: opportunities, approaches and challenges.

Torres Francisco E FE Recht Michael I MI Coyle Joseph E JE Bruce Richard H RH Williams Glyn G

Current opinion in structural biology 20101001 5

Higher throughput thermodynamic measurements can provide value in structure-based drug discovery during fragment screening, hit validation, and lead optimization. Enthalpy can be used to detect and characterize ligand binding, and changes that affect the interaction of protein and ligand can sometimes be detected more readily from changes in the enthalpy of binding than from the corresponding free-energy changes or from protein-ligand structures. Newer, higher throughput calorimeters are being i ...[more]

PMID: 20888754

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