Guiding Molecularly Imprinted Polymer Design by Pharmacophore Modeling.
MIP
MISPE
citrinin
core-shell polymers
molecularly imprinted polymers
mycotoxins
pharmacophore modeling
Journal
Molecules (Basel, Switzerland)
ISSN: 1420-3049
Titre abrégé: Molecules
Pays: Switzerland
ID NLM: 100964009
Informations de publication
Date de publication:
23 Aug 2021
23 Aug 2021
Historique:
received:
26
07
2021
revised:
15
08
2021
accepted:
19
08
2021
entrez:
27
8
2021
pubmed:
28
8
2021
medline:
28
8
2021
Statut:
epublish
Résumé
Molecularly imprinted polymers (MIP) combine the selectivity of immunoaffinity chromatography with the robustness of common solid-phase extraction in what is referred to as molecularly imprinted solid-phase extraction (MISPE). This contribution shows how MIP design may be guided by pharmacophore modeling for the example of citrinin, which is an emerging mycotoxin from cereals. The obtained pharmacophore model allowed searching public databases for a set of citrinin-mimicking molecular surrogates. Imprinted and non-imprinted polymers were subsequently obtained through bulk and core-shell polymerization in the presence of these surrogates. Evaluation of their binding ability for citrinin and structurally related ochratoxin A revealed a promising MIP derived from rhodizonic acid. A protocol for MISPE of citrinin from cereals was subsequently developed and compared to immunoaffinity chromatography with respect to clean-up efficiency and recovery.
Identifiants
pubmed: 34443687
pii: molecules26165101
doi: 10.3390/molecules26165101
pmc: PMC8402217
pii:
doi:
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
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