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Iterative Design Reveals Molecular Domain Relationships in Supramolecular Peptide-Drug Conjugates. | LitMetric

Iterative Design Reveals Molecular Domain Relationships in Supramolecular Peptide-Drug Conjugates.

Biomacromolecules

Department of Chemical & Biomolecular Engineering, University of Notre Dame, Notre Dame, Indiana 46556, United States.

Published: July 2024

AI Article Synopsis

  • Supramolecular peptide-drug conjugates (sPDCs) combine drug molecules with peptide sequences that self-assemble into structured nanofibrous hydrogels, offering an efficient method for targeted drug delivery.
  • A key challenge in developing sPDCs is understanding how the interactions between the drug and peptide components affect their assembly and material properties.
  • Experiments showed that adding a saturated alkyl segment to the sPDCs improved self-assembly into hydrogels compared to earlier designs, but the resultant material properties are still influenced by the complex interplay between the prodrug and peptide structures.

Article Abstract

Supramolecular peptide-drug conjugates (sPDCs) are prepared by covalent attachment of a drug moiety to a peptide motif programmed for one-dimensional self-assembly, with subsequent physical entanglement of these fibrillar structures enabling formation of nanofibrous hydrogels. This class of prodrug materials presents an attractive platform for mass-efficient and site-specific delivery of therapeutic agents using a discrete, single-component molecular design. However, a continued challenge in sPDC development is elucidating relationships between supramolecular interactions in their drug and peptide domains and the resultant impacts of these domains on assembly outcomes and material properties. Inclusion of a saturated alkyl segment alongside the prodrug in the hydrophobic domain of sPDCs could relieve some of the necessity for ordered, prodrug-produg interactions. Accordingly, nine sPDCs are prepared here to iterate the design variables of amino acid sequence and hydrophobic prodrug-alkyl block design. All molecules spontaneously formed hydrogels under physiological conditions, indicating a less hindered thermodynamic path to self-assembly relative to previous prodrug-only designs. However, material studies on the supramolecular arrangement, formation, and mechanical properties of the resultant sPDC hydrogels as well as their drug release profiles showed complex relationships between the hydrophobic and peptide domains in the formation and function of the resulting assemblies. Together, these results indicate that sPDC material properties are intrinsically linked to holistic molecular design with coupled contributions from their prodrug and peptide domains in directing properties of the emergent materials.

Download full-text PDF

Source
http://dx.doi.org/10.1021/acs.biomac.4c00519DOI Listing

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