Steric Effects on the Chelation of Mn²⁺ and Zn²⁺ by Hexadentate Polyimidazole Ligands: Modeling Metal Binding by Calprotectin Site 2.

ABSTRACT: Recently, there has been increasing interest in the design of ligands that bind Mn²⁺ with high affinity and selectivity, but this remains a difficult challenge. It has been proposed that the cavity size of the binding pocket is a critical factor in most synthetic and biological examples of selective Mn²⁺ binding. Here, we use a bioinspired approach adapted from the hexahistidine binding site of the manganese-sequestering protein calprotectin to systematically study the effect of cavity size on Mn²⁺ and Zn²⁺ binding. We have designed a hexadentate, trisimidazole ligand whose cavity size can be tuned through peripheral modification of the steric bulk of the imidazole substituents. Conformational dynamics and redox potentials of the complexes are de

SUBMITTER: Gaynor RB 

PROVIDER: S-EPMC10640917 | biostudies-literature | 2023 Jul

REPOSITORIES: biostudies-literature