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Bioactive Peptides: Discovery, Synthesis, and Therapeutic Applications

A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Bioactives and Nutraceuticals".

Deadline for manuscript submissions: 20 August 2026 | Viewed by 1306

Special Issue Editor


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Guest Editor
Department of Life Sciences, National Chung Hsing University, Taichung 402, Taiwan
Interests: functional peptides; molecular embryology; stem cell therapy; transgenic animals; epigenetic regulation; cancer biology; disease animal models

Special Issue Information

Dear Colleagues,

Bioactive peptides have emerged as a versatile and promising class of biomolecules with significant therapeutic potential. Derived from natural sources such as food proteins, microorganisms, and engineered systems, bioactive peptides exert diverse biological effects, including antioxidant, antimicrobial, anti-inflammatory, antihypertensive, anticancer, and immunomodulatory activities. Their structural flexibility, biocompatibility, and ability to modulate key molecular pathways make them attractive candidates for novel pharmacological interventions, functional foods, and regenerative medicine.

This Special Issue of IJMS, “Bioactive Peptides: Discovery, Synthesis, and Therapeutic Applications”, aims to highlight recent advances in peptide identification, synthesis, structure–function relationships, mechanistic studies, and clinical applications. We welcome both original research and review articles that explore peptide discovery strategies, innovative therapeutic targets, delivery systems, and translational studies. Contributions addressing peptide-based diagnostics, drug design, and disease models are also encouraged.

Suitable topics include, but are not limited to: identification and characterization of novel bioactive peptides from natural sources (food, microorganisms, marine organisms, plants, animals); synthetic and engineered peptides for therapeutic applications; structure–activity relationships and molecular mechanisms of bioactive peptides; antioxidant, anti-inflammatory, antimicrobial, and antiviral peptides; peptide-based therapeutics for cancer, cardiovascular, metabolic, and neurodegenerative diseases; bone health and musculoskeletal applications of peptides; peptide modulators of immune response and inflammation; peptide-based strategies for wound healing and tissue regeneration; peptide delivery systems: nanocarriers, hydrogels, and conjugates for improved stability and bioavailability; computational approaches, peptide design, and high-throughput screening methods; translational studies and clinical applications of bioactive peptides; peptide biomarkers for disease diagnosis and monitoring.

We look forward to receiving your contributions that expand the knowledge of bioactive peptides and accelerate their potential clinical and biotechnological applications.

Prof. Dr. Chuan-Mu Chen
Guest Editor

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Keywords

  • bioactive peptides
  • functional food-derived peptides
  • antimicrobial and antiviral peptides
  • peptide drug design and delivery
  • anticancer peptides
  • peptide-based therapeutics
  • regenerative medicine
  • immunomodulatory peptides
  • structure–function relationships
  • translational peptide research

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Published Papers (1 paper)

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Research

31 pages, 9436 KB  
Article
Coconut Milk-Derived Bioactive Peptides as Multifunctional Agents Against Hyperglycemia, Oxidative Stress, and Glycation: An Integrated Experimental and Computational Study
by Akshaya Simha Naganarasimha, Shashank M. Patil, Ramith Ramu, Maciej Przybyłek, Piotr Bełdowski, Olga Małolepsza, Sławomir Bujanowski and Mudassar Shahid
Int. J. Mol. Sci. 2026, 27(1), 360; https://doi.org/10.3390/ijms27010360 - 29 Dec 2025
Viewed by 1087
Abstract
Type 2 diabetes mellitus (T2DM) is characterised by chronic hyperglycaemia and accumulation of advanced glycation end products (AGEs), driving interest in food-derived peptides as safer multifunctional modulators. Coconut milk is a promising source, but its anti-hyperglycaemic and anti-glycation potential remains largely unexplored. Here, [...] Read more.
Type 2 diabetes mellitus (T2DM) is characterised by chronic hyperglycaemia and accumulation of advanced glycation end products (AGEs), driving interest in food-derived peptides as safer multifunctional modulators. Coconut milk is a promising source, but its anti-hyperglycaemic and anti-glycation potential remains largely unexplored. Here, proteins from coconut cream, skimmed and insoluble fractions of coconut milk were enzymatically hydrolysed, and the resulting peptides were profiled by nano-ESI-Orbitrap-LC-MS/MS. One hundred and fourteen peptides were identified and screened in silico against α-glucosidase, α-amylase, aldose reductase and the receptor for AGEs (RAGE). Two peptides, MQIFVK and ADVFNPR, showed the most favourable docking scores and physicochemical properties. However, ADVFNPR inhibited all 3 diabetic targets & RAGE. Molecular dynamics analysis showed that both peptides bind stably to the diabetic targets. Both peptides were synthesised and evaluated in vitro. ADVFNPR significantly inhibited α-glucosidase, α-amylase and aldose reductase with lower IC50 values and displayed competitive inhibition kinetics. It also scavenged methylglyoxal, 2,2-diphenyl-1-picrylhydrazyl (DPPH), 2,2′-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid (ABTS) and superoxide radicals at low EC50 values, and showed low hemolytic activity in human erythrocytes. These findings indicate that coconut milk contains multifunctional peptides with anti-hyperglycaemic, anti-glycation and antioxidant activities that may be further developed as food-derived adjuncts for managing T2DM and glycation-related complications. Full article
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