Coding recognition of the dose-effect interdependence of small biomolecules encrypted on paired chromatographic-based microassay arrays.
2D-HPTLC
Bioassay
Chromatographic behavior
LC–MS
Microassay array
Small biomolecule
Journal
Analytical and bioanalytical chemistry
ISSN: 1618-2650
Titre abrégé: Anal Bioanal Chem
Pays: Germany
ID NLM: 101134327
Informations de publication
Date de publication:
Aug 2022
Aug 2022
Historique:
received:
06
04
2022
accepted:
31
05
2022
revised:
26
05
2022
pubmed:
11
6
2022
medline:
22
7
2022
entrez:
10
6
2022
Statut:
ppublish
Résumé
The discovery of small biomolecules has suffered from the lack of a comprehensive framework to express the intrinsic correlation between bioactivity and the contribution from small molecules in complex samples with molecular and bioactivity diversity. Here, by mapping a sample's 2D-HPTLC fingerprint to microplates, paired chromatographic-based microassay arrays are created, which can be used as quasi-chips to characterize multiple attributes of chromatographic components; as the array differential expression of the bioactivity and molecular attributes of irregular chromatographic spots for dose-effect interdependent encoding; and also as the automatic-collimated array mosaics of the multi-attributes of each component itself encrypted by its chromatographic fingerprint. Based on this homologous framework, we propose a correlating recognition strategy for small biomolecules through their self-consistent chromatographic behavior characteristics. In the approach, the small biomolecule recognition in diverse compounds is transformed into a constraint satisfaction problem, which is addressed through examining the dose-effect interdependence of the homologous 2D code pairs by an array matching algorithm, instead of preparing diverse compound monomers of complex test samples for identification item-by-item. Furthermore, considering the dose-effect interdependent 2D code pairs as links and the digital-specific quasimolecular ions as nodes, an extendable self-consistent framework that correlates mammalian cell phenotypic and target-based bioassays with small biomolecules is established. Therefore, the small molecule contributions and the correlations of bioactivities, as well as their pathways, can be comprehensively revealed, so as to improve the reliability and efficiency of screening. This strategy was successfully applied to galangal, and demonstrated the high-throughput digital preliminary screening of small biomolecules in a natural product.
Identifiants
pubmed: 35680658
doi: 10.1007/s00216-022-04162-9
pii: 10.1007/s00216-022-04162-9
pmc: PMC9183755
doi:
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
5991-6001Subventions
Organisme : Traditional Chinese Medicine Bureau of Guangdong Province
ID : 20141152
Organisme : Traditional Chinese Medicine Bureau of Guangdong Province
ID : 20181153
Informations de copyright
© 2022. Springer-Verlag GmbH Germany, part of Springer Nature.
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