Removal of As(III) from Biological Fluids: Mono- versus Dithiolic Ligands.

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Chille D, Cassone G, Giacobello F, Giuffre O, Nardo VM, Ponterio RC, Saija F, Sponer J, Trusso S, Foti C

Removal of As(III) from Biological Fluids: Mono- versus Dithiolic Ligands.

Chem Res Toxicol. 2020 Apr 20;33(4):967-974. doi: 10.1021/acs.chemrestox.9b00506. Epub 2020 Mar 24.

PubMed ID

32180400 [ View in PubMed

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Abstract

Arsenic is one of the inorganic pollutants typically found in natural waters, and its toxic effects on the human body are currently of great concern. For this reason, the search for detoxifying agents that can be used in a so-called "chelation therapy" is of primary importance. However, to the aim of finding the thermodynamic behavior of efficient chelating agents, extensive speciation studies, capable of reproducing physiological conditions in terms of pH, temperature, and ionic strength, are in order. Here, we report on the acid-base properties of meso-2,3-dimercaptosuccinic acid (DMSA) at different temperatures (i.e., T = 288.15, 298.15, 310.15, and 318.15 K). In particular, its capability to interact with As(III) has been investigated by experimentally evaluating some crucial thermodynamic parameters (DeltaH and TDeltaS), stability constants, and its speciation model. Additionally, in order to gather information on the microscopic coordination modalities of As(III) with the functional groups of DMSA and, at the same time, to better interpret the experimental results, a series of state-of-the-art ab initio molecular dynamics simulations have been performed. For the sake of completeness, the sequestering capabilities of DMSA-a simple dithiol ligand-toward As(III) are directly compared with those recently emerged from similar analyses reported on monothiol ligands.

DrugBank Data that Cites this Article

Drug Targets

Drug	Target	Kind	Organism	Pharmacological Action	Actions
Dimercaptosuccinic acid	Arsenic	Small molecule	Humans	Unknown	Chelator	Details