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Ann Acad Med Stetin, 2006; 52, Suppl 1, 103-107

ANNA SZYPERSKA, ZYGMUNT MACHOY*, BOGUSŁAW MACHALIŃSKI

 

INTERACTIONS OF ALUMINOFLUORIDE COMPLEXES (ALFX) WITH HIGH-ENERGY COMPOUNDS (ADP, ATP) AS REVEALED BY MOLECULAR MODELING

Katedra i Zakład Patologii Ogólnej Pomorskiej Akademii Medycznej

al. Powstańców Wlkp. 72, 70-111 Szczecin

Kierownik: prof. dr hab. n. med. Bogusław Machaliński

* Katedra Biochemii i Chemii Medycznej Pomorskiej Akademii Medycznej

al. Powstańców Wlkp. 72, 70-111 Szczecin

Kierownik: prof. dr hab. n. med. Dariusz Chlubek

 

Summary

Introduction: Aluminofluoride complexes (AlFx) are toxic substances at the cellular and subcellular level, apparently implicated in degeneration of the nervous system. The present study focused on direct interactions with AlFx of two common adenine nucleotides: adenosine diphosphate and adenosine triphosphate, both of which play an important role in many biochemical processes.

The aim was to search for interactions between ADPAlFx and ATP-AlFx complexes depending on the environment of the reaction.

Material and methods: Modern HyperChem computer software was used allowing for the computation of heat of formation and bond energy.

Results: The strongest bonds in vacuum were calculated for ADP-AlF41-, ADP-AlF3 and ATP-AlF3. In water, the strongest bonds were found for ADP-AlF3 and ATP-AlF3. Due to inhibition of metabolic processes, stable bonds between those molecules are less advantageous than labile ones. Nevertheless, strong bonds seem to be associated with reduced toxicity of AlFx complexes.

K e y w o r d s: Aluminofluoride complexes (AlFx) – high-energy molecules (ATP, ADP) – AlFx-ATP, AlFx-ADP interactions – fluorine and aluminum toxicology – molecular modeling.
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