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Leveraging the contribution of thermodynamics in drug discovery with the help of fluorescence-based thermal shift assays

Hau, Jean-Christophe and Fontana, Patrizia and Zimmermann, Catherine and De Pover, Alain and Erdmann, Dirk and Chene, Patrick (2011) Leveraging the contribution of thermodynamics in drug discovery with the help of fluorescence-based thermal shift assays. Journal of Biomolecular Screening, 16 (5). pp. 552-556. ISSN 1087-0571

Abstract

The development of new drugs with better pharmacological and safety properties mandates the optimization of several parameters. Today, potency is often used as the sole biochemical parameter to identify and select new molecules. Surprisingly, thermodynamics, which is at the core of any interaction, is rarely used in drug discovery, even though it has been suggested that the selection of scaffolds according to thermodynamic criteria may be a valuable strategy. This poor integration of thermodynamics in drug discovery might be due to difficulties in implementing calorimetry experiments despite recent technological progress in this area. In this report, we show that fluorescence-based thermal shift assays could be used as pre-screening methods to identify compounds with different thermodynamic profiles. This approach allows a reduction in the number of compounds to be tested in calorimetry experiments, thus favoring greater integration of thermodynamics in drug discovery.

Item Type: Article
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Date Deposited: 13 Oct 2015 13:15
Last Modified: 13 Oct 2015 13:15
URI: https://oak.novartis.com/id/eprint/3841

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