Structural bioinformatics plays a crucial role in modern computational biology, driving breakthroughs in drug discovery, protein engineering, and understanding biomolecular interactions, as well as disease-causing modifications of these biomolecules. With the rapid development of Artificial Intelligence (AI)-based methods, enhanced molecular simulations, and integrative modeling approaches, this field is experiencing unprecedented progress.

This special issue aims to highlight cutting-edge research and novel applications in structural bioinformatics.

Structural bioinformatics is a broad field focused on applying computational approaches to proteins of biological and biomedical interest. It also addresses machine and deep learning methods dedicated to structural prediction, which have become essential for advancing protein structure and conformational modeling. New techniques for studying biomolecular interactions offer promising ways to better characterize protein-protein and protein-ligand interactions and understand their functional implications. Another important focus is computational drug design, which includes structure-based and AI-driven approaches for drug discovery and repurposing, as well as ligand docking, and molecular dynamics simulations. The field also includes integrative structural biology, combining experimental data and computational methods for multi-scale modeling of biomolecular systems. Finally, the development of structural databases, algorithms, and visualization tools remains central to supporting research in this field. This special issue aims to highlight the diverse yet interconnected and innovative aspects of structural bioinformatics.

We invite researchers to submit original research articles, reviews, and perspective papers that advance the field of structural bioinformatics.

Polyamines are small polycationic molecules derived from arginine that play essential roles in various biological processes across a wide range of organisms, including animals, plants, and microorganisms. The polyamine biosynthetic pathway is initiated by ornithine decarboxylase (ODC), an enzyme that catalyzes the rate-limiting decarboxylation of ornithine to produce putrescine. Putrescine is subsequently converted to spermidine and spermine. These polyamines are involved in cellular growth including proliferation, cell differentiation and stress responses, acting as key regulators in metabolism and signaling pathways. Given their ubiquitous presence and diverse functions, understanding the mechanisms by which polyamines operate is critical for advancing our knowledge of cellular homeostasis and organismal physiology.

The significance of studying polyamines extends beyond basic biology, as recent advances have revealed their potential therapeutic applications in medicine and agriculture. For instance, research has shown that polyamines can mitigate oxidative stress in plants, enhance tolerance to environmental challenges, and even play a role in neuroprotection in animal models. By elucidating the intricate roles of polyamines and their metabolites, we can develop novel strategies to enhance crop resilience and devise innovative therapeutic approaches for human health.

Continued research into polyamines holds promise for uncovering novel pathways and interactions that could lead to groundbreaking advancements in both basic science and applied fields. As we deepen our understanding of how polyamines regulate growth and stress responses, transcription and translation of the signal, there is potential for the development of targeted interventions that improve plant resilience to climate change, optimize metabolic processes in microorganisms, and yield new therapeutic agents for complex pathologies in humans.

We invite Authors to contribute to the Special Issue by submitting original research articles, mini reviews, and full reviews that provide new insights into the diverse roles of polyamines.

Please note:

(1) Article Processing Charges (APCs) may be covered by agreements that Springer Nature has with many institutions worldwide. We encourage authors to check with their institution and consult the journal’s main webpage to determine if they are eligible for coverage. If your institution is not included, please contact the journal directly for further assistance.

(2) Authors may serve as corresponding author or first/last author on no more than two articles. However, they may contribute as co-authors to an unlimited number of other publications included in the Special Issue.

(3) Articles are collected as soon as they are accepted for publication. Authors do not need to wait for their article to appear in print or online until the final contribution to the collection has been submitted.