On the enthalpic preference of fragment binding

G. Ferenczy, György M. Keseru

Research output: Contribution to journalArticle

13 Citations (Scopus)

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.

Original languageEnglish
Pages (from-to)332-337
Number of pages6
JournalMedChemComm
Volume7
Issue number2
DOIs
Publication statusPublished - Feb 1 2016

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Thermodynamics
Enthalpy
Drug Discovery
Guidelines
Pharmaceutical Preparations

ASJC Scopus subject areas

  • Biochemistry
  • Pharmaceutical Science

Cite this

On the enthalpic preference of fragment binding. / Ferenczy, G.; Keseru, György M.

In: MedChemComm, Vol. 7, No. 2, 01.02.2016, p. 332-337.

Research output: Contribution to journalArticle

Ferenczy, G. ; Keseru, György M. / On the enthalpic preference of fragment binding. In: MedChemComm. 2016 ; Vol. 7, No. 2. pp. 332-337.
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