The role of glutathione in cadmium ion detoxification: coordination modes and binding properties--a density functional study.

@article{Belcastro2009TheRO,
  title={The role of glutathione in cadmium ion detoxification: coordination modes and binding properties--a density functional study.},
  author={Marcella Belcastro and Tiziana Marino and Nino Russo and Marirosa Toscano},
  journal={Journal of inorganic biochemistry},
  year={2009},
  volume={103 1},
  pages={
          50-7
        }
}

Figures and Tables from this paper

Theoretical study on the interaction of glutathione with group IA (Li+, Na+, K+), IIA (Be2+, Mg2+, Ca2+), and IIIA (Al3+) metal cations

The structures and energies of complexes obtained upon interaction between glutathione (GSH) and alkali (Li+, Na+, K+), or alkaline earth metal (Be2+, Mg2+, Ca2+), or group IIIA (Al3+) cations were

Synergy Effects in Heavy Metal Ion Chelation with Aryl- and Aroyl-Substituted Thiourea Derivatives.

TLDR
It is shown how the N,N'-disubstituted derivative has a strong affinity for Hg2+, through cation-hydrogen interactions, due to its greater oxidizing capacity.

Interaction studies of cysteine with Li+, Na+, K+, Be2+, Mg2+, and Ca2+ metal cation complexes

The coordination geometries, electronic features, metal ion affinities, entropies, and the energetics of Li+, Na+, K+, Be2+, Mg2+, and Ca2+ metal cations with different possible conformations of

Interactions of oxaliplatin with the cytoplasmic thiol containing ligand glutathione.

The complexation of the Pt-based anti-cancer drug oxaliplatin (OxPt) with biological ligands other than DNA is believed to be a major cellular sink for the drug reducing its therapeutic effect and

DFT STUDY OF THE INTERACTION OF THYMINE WITH CU+ AND ZN2+

Interaction of the DNA thymine base with Cu+ and Zn2+ was studied to explore: a) The metal binding energy (MIA) of thymine with Cu+ and Zn2+ and b) The possible correlation between charge transfer

References

SHOWING 1-10 OF 103 REFERENCES

Interaction of cysteine with Cu2+ and group IIb (Zn2+, Cd2+, Hg2+) metal cations: a theoretical study.

The structure and energetics of complexes obtained upon interaction between cysteine and Zn2+, Cd2+, Hg2+ and Cu2+ cations were studied using quantum chemical density functional theory calculations

Structure and coordination modes in the interaction between Cd2+ and 3-mercaptopropionic acid

The structural, electronic, and energetic properties of cadmium ion complexes with one and two protonated and deprotonated 3-mercaptopropionic acid ligands were studied theoretically in the framework

Spectral studies on copper(II) complexes of biologically active glutathione.

Interaction of Cu+ and Cu2+ ions with α-alanine. A density functional study

The Cu(+) and Cu(2+) preferred binding sites on alpha-alanine and their affinity values for this amino acid were determined at the density functional level using three different hybrid exchange

Ligand-induced changes in the structure and dynamics of a human class Mu glutathione S-transferase.

TLDR
The dynamic properties of GSTM2-2 were investigated over a wide range of time scales using (15)N nuclear spin relaxation, residual dipolar couplings, and amide hydrogen-deuterium exchange rates, showing that the majority of the protein backbone is rigid on the nanosecond to picosecond time scale for all forms of the enzyme.

Ca, Cd, Zn, and their ions interacting with Cytosine: a theoretical study.

TLDR
Analyses of the energetics of the global reactions to form cationic species show that metal cations bind more strongly to neutral cytosine than to neutral metals.

Cobalt(II) complexes of biologically active glutathione: spectroscopic and molecular modeling studies.

1H,13C-NMR and X-ray absorption studies of copper(I) glutathione complexes.

TLDR
The high thermodynamic stability of Cu(I)-S bonds in Cu (I)-glutathione complexes coupled with their kinetic lability may provide efficient and specific pathways for the transport of copper in cells.
...