Comprehensive Thermodynamic Profiling for the Binding of a G-Quadruplex Selective Indoloquinoline

The Journal of Physical Chemistry. B
Andrea Funke, Klaus Weisz

Abstract

Binding of a positively charged indoloquinoline derivative to a G-quadruplex formed by the G-rich promoter element of the c-MYC oncogene was subjected to a rigorous isothermal calorimetric analysis. Binding of the indoloquinoline is primarily enthalpy-driven but is also promoted by a favorable entropy term. Both binding enthalpy ΔH° and binding entropy ΔS° exhibit a noticeable temperature dependence with almost complete enthalpy-entropy compensation as a result of a negative change in heat capacity ΔCp°. Salt-dependent polyelectrolyte effects only moderately contribute to the overall free energy of association. More details on the binding process are revealed in an attempt to dissect the total free energy into individual contributory terms. Accordingly, specific intermolecular interactions between the indoloquinoline ligand and G-quadruplex substantially contribute in addition to hydrophobic effects in promoting the association. Comparing thermodynamic profiles for various quadruplex ligands indicates different energetic patterns that may aid in the rational design of more efficient quadruplex binding ligands in the future.

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Citations

Dec 12, 2017·Chembiochem : a European Journal of Chemical Biology·Andrea FunkeKlaus Weisz
Sep 14, 2018·RSC Advances·Sudeshna Manna, Seergazhi G Srivatsan
Sep 26, 2020·Chemistry : a European Journal·Yoanes Maria VianneyKlaus Weisz
May 7, 2021·Chemistry : a European Journal·Swantje MohrKlaus Weisz
Jul 27, 2021·ACS Omega·Abhi Das, Sanjay Dutta
Mar 18, 2020·The Journal of Physical Chemistry. B·Lena SchnarrKlaus Weisz
Jan 30, 2018·The Journal of Physical Chemistry. B·Sneha Paul, Anunay Samanta
Sep 10, 2021·Langmuir : the ACS Journal of Surfaces and Colloids·Atanu NandySaptarshi Mukherjee

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