Aluminofluoride complexes (AlF_x) are toxic substances at cellular and sub-cellular level, treated as one of possible compounds in degeneration of nervous system and one of etiology factor in Alzheimer disease (AD). Aminoacid proline (Pro), wich is the main compound in colostrynin was examined in our researches due to its interactions with AlF_x. The main aim was to study if there are any interactions between Pro and AlF_x and observe if those new formed complexes are depended on the solution. Computer software – HyperChem - was used for our calculations. This program allows for analysing such energetic parameters as e.g. binding energy, total energy or heat formation of a molecule. The strongest bindings were observed between proline and AlF₂⁺¹ in vacuum and water environment. Stable bindings between those molecules may show the possible way of how colostrynine may prevent the AD pathogenic progress by destruction of the insoluble senile plaques caused by metals such as aluminum, iron, copper or zinc.

key words: aluminofluoride complexes (AlFx)-proline (Pro)- interactions: AlFx-Pro - fluorine and aluminium toxicology- molecular modelling – Alzheimer disease