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Issue 2, 2016
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On the enthalpic preference of fragment binding

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Abstract

Detailed thermodynamic analysis of fragment binding revealed that unlike drug-like compounds, fragments bind with significant enthalpic preference. This observation is in line with the size dependency of binding enthalpy contributions and is also supported by a large body of experimental data from direct binding thermodynamic measurements. The enthalpy-driven binding of fragments represents a thermodynamic rationale for fragment-based drug discovery programs and suggests guidelines for fragment-based optimization programs.

Graphical abstract: On the enthalpic preference of fragment binding

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Publication details

The article was received on 22 Nov 2015, accepted on 08 Dec 2015 and first published on 10 Dec 2015


Article type: Research Article
DOI: 10.1039/C5MD00542F
Citation: Med. Chem. Commun., 2016,7, 332-337
  • Open access: Creative Commons BY license
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    On the enthalpic preference of fragment binding

    G. G. Ferenczy and G. M. Keserű, Med. Chem. Commun., 2016, 7, 332
    DOI: 10.1039/C5MD00542F

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