Issue 2, 2016

On the enthalpic preference of fragment binding


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

Supplementary files

Article information

Article type
Research Article
22 Nov 2015
08 Dec 2015
First published
10 Dec 2015
This article is Open Access
Creative Commons BY license

Med. Chem. Commun., 2016,7, 332-337

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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