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.
journal_name
Sci Repjournal_title
Scientific reportsauthors
Scafuri B,Varriale A,Facchiano A,D'Auria S,Raggi ME,Marabotti Adoi
10.1038/s41598-017-15148-4subject
Has Abstractpub_date
2017-11-09 00:00:00pages
15156issue
1issn
2045-2322pii
10.1038/s41598-017-15148-4journal_volume
7pub_type
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