Peptide science occupies a central role in modern drug research and development, emerging as one of the most dynamic and integrative fields. From therapeutic discovery to target engagement and delivery strategies, peptides continue to reveal unprecedented potential for addressing unmet medical needs. This special issue aims to highlight cutting-edge advances within the drug discovery community, fostering a global exchange of ideas that accelerates scientific and therapeutic progress.

Today, peptide-based drug discovery benefits from breakthroughs in solid-phase synthesis, computational design, structural characterization, and high-throughput screening. These tools have enabled the creation of novel peptide analogues, enantiomeric variants, macrocyclic scaffolds, and bioactive sequences with enhanced pharmacological properties, including potency, selectivity, and stability. At the same time, interdisciplinary approaches are reshaping peptide applications in drug development, with a focus on human health, and immunomodulation. By integrating chemistry, biology, pharmacology, and data-driven methods, researchers are uncovering new mechanisms of action, redefining structure–function relationships, and expanding the accessibility of previously unattainable therapeutic peptide candidates.

This special issue welcomes contributions from all geographical regions and sectors, with a focus on innovative strategies, emerging methodologies, and translational potential towards clinical application. We particularly encourage studies that highlight collaborative efforts, novel synthetic approaches, peptide-membrane interactions in the context of drug targeting and delivery, therapeutic explorations for various diseases, and pharmacological studies. By bringing together global expertise, this issue seeks to expand the horizons of peptide-based drug discovery and inspire new directions for future therapeutic development.

Keywords: Peptide design, bioactive peptides, structure–function relationships, therapeutic peptides, pharmacology of peptides