Spectroscopic and computational characterization of the nucleopeptide WWT reveals supramolecular organization, selective biomolecular interactions, and potential regenerative relevance (15 views)
Spectrochimica Acta Part A, 2026 May 06; 359: 128001-128001.
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Paper type: Research Journal Article
Impact factor: 4.8, 5-year impact factor: 0
Url: https://www.sciencedirect.com/science/article/pii/S138614252600572X#s0155
Keywords: Nucleopeptides Circular Dichroism Uv Spectroscopy Bioactive Peptides Proteomics Metabolomics Computational Modelling
Affiliations:
*** IBB - CNR ***
References:
Spectrochimica Acta Part A, 2026 May 06; 359: 128001-128001.
Export to BibTeX Export to EndNote
Paper type: Research Journal Article
Impact factor: 4.8, 5-year impact factor: 0
Url: https://www.sciencedirect.com/science/article/pii/S138614252600572X#s0155
Keywords: Nucleopeptides Circular Dichroism Uv Spectroscopy Bioactive Peptides Proteomics Metabolomics Computational Modelling
Affiliations:
*** IBB - CNR ***
References:
Spectroscopic and computational characterization of the nucleopeptide WWT reveals supramolecular organization, selective biomolecular interactions, and potential regenerative relevance
Nucleobase-containing
peptides (nucleopeptides) represent a unique class of biohybrid
molecules that combine the structural versatility of peptides with the
functional properties of nucleobases, enabling programmable
self-assembly and selective molecular interactions. These features
position nucleopeptides as promising tools for biomedical and
supramolecular applications.
Here,
we report the synthesis and characterization of a novel nucleopeptide
derived from a tryptophan dipeptide (WW) functionalized with a thymine
(T) base, termed WWT. Circular Dichroism and UV–Vis spectroscopy
revealed distinctive spectral features and supramolecular organization
in solution, confirmed by Dynamic Light Scattering. Binding studies
showed no detectable interaction with DNA or RNA, whereas measurable
spectral perturbations indicated affinity for bovine serum albumin.
Metal-binding experiments with Ni(II) and Cu(II) further highlighted the
influence of these ions on the modulation of WWT's optical properties,
while computational modelling using HDOCK complemented the experimental
data by predicting aggregation modes and protein-binding interfaces.
To
explore biological relevance, we integrated controlled exposure of
IMR-90 human fibroblasts and Jurkat T lymphocytes with proteomics and
metabolomics, identifying time-dependent modulation of pathways linked
to metabolism, RNA/DNA processing, and T-cell signaling. Functionally,
WWT enhanced fibroblast migration without altering lysosomal,
mitochondrial, or cytoskeletal organization.
Overall,
this study provides the first combined synthetic, spectroscopic,
computational, and multi-omics evaluation of WWT properties and effects,
revealing its organized supramolecular behaviour, selective
biomolecular interactions, and potential pro-regenerative properties.
Nucleobase-containing
peptides (nucleopeptides) represent a unique class of biohybrid
molecules that combine the structural versatility of peptides with the
functional properties of nucleobases, enabling programmable
self-assembly and selective molecular interactions. These features
position nucleopeptides as promising tools for biomedical and
supramolecular applications.
Here,
we report the synthesis and characterization of a novel nucleopeptide
derived from a tryptophan dipeptide (WW) functionalized with a thymine
(T) base, termed WWT. Circular Dichroism and UV–Vis spectroscopy
revealed distinctive spectral features and supramolecular organization
in solution, confirmed by Dynamic Light Scattering. Binding studies
showed no detectable interaction with DNA or RNA, whereas measurable
spectral perturbations indicated affinity for bovine serum albumin.
Metal-binding experiments with Ni(II) and Cu(II) further highlighted the
influence of these ions on the modulation of WWT's optical properties,
while computational modelling using HDOCK complemented the experimental
data by predicting aggregation modes and protein-binding interfaces.
To
explore biological relevance, we integrated controlled exposure of
IMR-90 human fibroblasts and Jurkat T lymphocytes with proteomics and
metabolomics, identifying time-dependent modulation of pathways linked
to metabolism, RNA/DNA processing, and T-cell signaling. Functionally,
WWT enhanced fibroblast migration without altering lysosomal,
mitochondrial, or cytoskeletal organization.
Overall,
this study provides the first combined synthetic, spectroscopic,
computational, and multi-omics evaluation of WWT properties and effects,
revealing its organized supramolecular behaviour, selective
biomolecular interactions, and potential pro-regenerative properties.
Spectroscopic and computational characterization of the nucleopeptide WWT reveals supramolecular organization, selective biomolecular interactions, and potential regenerative relevance
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