• • De Novo Design of an Orphan Modular Peptide for Redox-Responsive Drug Delivery Microspheres: Structural…

Abstract

This paper presents the de novo computational design of a 26-amino acid synthetic peptide structured to act as a biodegradable nanocage for sustained drug delivery systems (e.g., insulin). The primary sequence—PCNCGQQCHCLMLPCNIHIICPNQLPCNC—was designed using a modular approach to achieve controlled erosion and physical cargo entrapment without evolutionary precedents in nature. Structural prediction via AlphaFold2 (ColabFold) demonstrates reproducible convergence into a rigid hairpin/loop geometry with an intrinsically disordered hinge region, yielding high local confidence metrics (pLDDT > 90). The absence of natural matches in NCBI BLAST confirms the orphan and novel status of the sequence, making it a viable candidate for advanced biomaterial simulations and intellectual property development.

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BibTeX

@misc{castaneda2026novo,
  title = {{• • De Novo Design of an Orphan Modular Peptide for Redox-Responsive Drug Delivery Microspheres: Structural Validation via AlphaFold2}},
  author = {Carlos Enrique Buelna Castañeda},
  howpublished = {Zenodo},
  year = {2026},
  month = oct,
  doi = {10.5281/zenodo.23464287},
  url = {https://zenodo.org/records/23464287},
  note = {CC BY 4.0},
}

RIS

TY  - UNPB
TI  - • • De Novo Design of an Orphan Modular Peptide for Redox-Responsive Drug Delivery Microspheres: Structural Validation via AlphaFold2
AU  - Carlos Enrique Buelna Castañeda
PY  - 2026
DA  - 2026/10/19
PB  - Zenodo
DO  - 10.5281/zenodo.23464287
UR  - https://zenodo.org/records/23464287
AB  - This paper presents the de novo computational design of a 26-amino acid synthetic peptide structured to act as a biodegradable nanocage for sustained drug delivery systems (e.g., insulin). The primary sequence—PCNCGQQCHCLMLPCNIHIICPNQLPCNC—was designed using a modular approach to achieve controlled erosion and physical cargo entrapment without evolutionary precedents in nature. Structural prediction via AlphaFold2 (ColabFold) demonstrates reproducible convergence into a rigid hairpin/loop geometry with an intrinsically disordered hinge region, yielding high local confidence metrics (pLDDT > 90). The absence of natural matches in NCBI BLAST confirms the orphan and novel status of the sequence, making it a viable candidate for advanced biomaterial simulations and intellectual property development.
ER  -

Abstract

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