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Bioengineered Peptides and Proteins as Potential Therapeutic Agents

A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Bioorganic Chemistry".

Deadline for manuscript submissions: 30 September 2026 | Viewed by 1280

Special Issue Editor


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Guest Editor
Laboratory of Biochemistry, Department of Chemistry, Aristotle University of Thessaloniki, 541 24 Thessaloniki, Greece
Interests: drug discovery and therapeutic agents; molecular biology; cell signaling; biofunctionalized nanomaterials
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

The forthcoming Special Issue of Molecules, entitled “Bioengineered Peptides and Proteins as Potential Therapeutic Agents”, explores the rapidly evolving field of bioengineered peptides and proteins, emphasizing their emerging role as innovative therapeutic agents. Recent advances in synthetic biology, protein engineering, and molecular modelling have enabled the synthesis of novel peptides and proteins with enhanced bioactivity, stability, and specificity. Moreover, machine learning and artificial intelligence have introduced powerful methodologies in the prediction of structure—function relationships and accelerated drug design and development.   

This Special Issue is open for the submission of original research articles, reviews and short communications that delve into the molecular engineering of peptides and proteins for therapeutic uses.  Some representative topics of interest include the following:

  • Design and optimization of therapeutic peptides and proteins;
  • Peptide–drug conjugates;
  • Peptidomimetics;
  • Protein scaffolds and platforms;
  • Self-assembling peptides and proteins for tissue engineering and regenerative medicine;
  • AI-driven modelling and computational design of peptides and proteins;
  • Advanced strategies for targeted delivery of peptides and proteins;
  • Improved bioavailability and controlled release of therapeutic peptides and proteins;
  • Peptide-based biosensors.

Dr. Rigini M. Papi
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 250 words) can be sent to the Editorial Office for assessment.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Molecules is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2700 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • bioengineered peptides & proteins
  • therapeutic agents
  • synthetic biology
  • structure-function prediction
  • protein engineering
  • protein scaffolds
  • drug design
  • regenerative medicine

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Published Papers (1 paper)

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Research

17 pages, 1432 KB  
Article
Screening for Peptides to Bind and Functionally Inhibit SARS-CoV-2 Fusion Peptide Using Mirrored Combinatorial Phage Display and Human Proteomic Phage Display
by Ajay Pal, Neeladri Sekhar Roy, Matthew Angeliadis, Priyanka Madhu, Sophie O’Reilly, Indrani Bera, Nathan Francois, Aisling Lynch, Virginie Gautier, Marc Devocelle, David J. O’Connell and Denis C. Shields
Molecules 2026, 31(2), 282; https://doi.org/10.3390/molecules31020282 - 13 Jan 2026
Viewed by 954
Abstract
To identify pancoronaviral inhibitors, we sought to identify peptides that bound the evolutionarily conserved SARS-CoV-2 spike fusion peptide (FP). We screened the NEB PhD-7-mer random combinatorial phage display library against FP, synthesised as a D-peptide, to identify peptides from the L-library to be [...] Read more.
To identify pancoronaviral inhibitors, we sought to identify peptides that bound the evolutionarily conserved SARS-CoV-2 spike fusion peptide (FP). We screened the NEB PhD-7-mer random combinatorial phage display library against FP, synthesised as a D-peptide, to identify peptides from the L-library to be synthesised as proteolytically resistant D peptides. We selected the top ten peptides that were not seen in another published screen with this library, as these were more likely to be specific. All ten D-peptides had no impact on the infection of Vero-E6/TMPRSS2 cells by SARS-CoV-2. Screening of a proteomic-derived phage display library from the disordered regions of human proteins identified two overlapping 14mer peptides from a region of OTUD1. While a synthetic peptide based on their sequences failed to markedly inhibit viral entry, molecular dynamics structural modelling highlighted a stable binding mode where positive residues on one side of the OTUD1 helix interacted with hydrophobic residues of the FP triple-helical wedge. Thus, while the two phage display strategies failed to yield peptide sequences that are themselves strong inhibitors of viral infection, they led to the development of a computational model that can underpin future designs of potential pancoronaviral FP disruptors. Full article
(This article belongs to the Special Issue Bioengineered Peptides and Proteins as Potential Therapeutic Agents)
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