Abstract
We have applied a combined computational procedure based on inverse and direct docking in order to identify putative protein targets of a panel of mycotoxins and xenobiotic compounds that can contaminate food and that are known to have several detrimental effects on human health. This procedure allowed us to identify a panel of human proteins as possible targets for aflatoxins, gliotoxin, ochratoxin A and deoxynivalenol. Steady-state fluorescence and microscale thermophoresis experiments allowed us to confirm the binding of some of these mycotoxins to acetylcholinesterase and X-linked neuroligin 4, two proteins involved in synapse activity and, particularly for the second protein, neuronal plasticity and development. Considering the possible involvement of X-linked neuroligin 4 in the etiopathogenesis of autism spectrum syndrome, this finding opens up a new avenue to explore the hypothetical role of these xenobiotic compounds in the onset of this pathology.
Highlights
Mycotoxins are small molecules produced by the secondary metabolism of fungi or moulds that contaminate agriculture products and that exert toxic effects on humans
Many negative effects of these compounds are documented in the scientific literature, especially for peripheral organs; less is known about their effects on the nervous system, and the targets to which they can bind are not fully identified
The identification of amine oxidase B, an enzyme involved in dopamine metabolism, as a potential target for ochratoxin A supports our predictions, since exposure to chronic low doses of this mycotoxin is associated with early parkinsonism[14]
Summary
Mycotoxins are small molecules produced by the secondary metabolism of fungi or moulds that contaminate agriculture products and that exert toxic effects on humans. They are found worldwide in foods derived in particular from cereals, nuts, seed oils[1], and in foods of animal origin, such as milk and milk derivatives, eggs and meat, obtained by animals fed with contaminated fodder[2]. Deoxynivalenol can induce the so-called “ribotoxic stress response”, oxidative stress and apoptosis, and at the macroscopic level it is associated with the alteration of intestinal and immune functions. The exposure to a chronic low dose of ochratoxin A reduces striatal dopamine and may be associated with the earlier onset of parkinsonism[14]
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