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Parsing the Enthalpy–Entropy Compensation Phenomenon of General DNA–Ligand Interactions by a ‘Gradient Determinant’ Approach

Authors :
Wei-Kang Hung
Wen-Chen Yao
Jia-Rong Wu
Robin C. K. Yang
Yu-Ling Chen
Yu-Ting Li
Karen L. Kao
Chia-Chun Hung
Michael J. Waring
Leung Sheh
Source :
DNA-targeting Molecules as Therapeutic Agents ISBN: 9781782629924
Publication Year :
2018
Publisher :
The Royal Society of Chemistry, 2018.

Abstract

The enthalpy–entropy compensation (EEC) phenomenon commonly arises in DNA binding processes, including DNA–peptide interactions, where a rather narrowly defined ΔG value is preserved. Indeed, molecules as large as proteins can share the EEC phenomenon with small ligands, like drugs, despite variations in temperature or salt concentration. For a given series of similar reactions, strict compensation between ΔH and TΔS provides a thermodynamic mechanism which maintains a favourable value of negative ΔG that dominates the binding process. The EEC phenomenon can be categorized into four major types, expressed by the gradient determinant ke of ΔH−TΔS energy compensation. For a given series of ligands, it is their chemical structure and DNA sequence-selectivity which seem to determine the type of energy compensation, manifested by ke, sustaining a favourable negative free energy change within a narrow range that assures successful complex formation.

Details

ISBN :
978-1-78262-992-4
ISBNs :
9781782629924
Database :
OpenAIRE
Journal :
DNA-targeting Molecules as Therapeutic Agents ISBN: 9781782629924
Accession number :
edsair.doi...........bdab6de5663a101b646c5cecd4b2cad9
Full Text :
https://doi.org/10.1039/9781788012928-00175