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International Journal of Molecular Sciences publishes Special Issues to create collections of papers on specific topics, with the aim of building a community of authors and readers to discuss the latest research and develop new ideas and research directions. Special Issues are led by Guest Editors, who are experts on the topic and all Special Issue submissions follow MDPI's standard editorial process. The journal’s Editor-in-Chief and/or designated Editorial Board Member will oversee Guest Editor appointments and Special Issue proposals, checking their content for relevance and ensuring the suitability of the material for the journal. The papers published in a Special Issue will be collected and displayed on a dedicated page of the journal’s website. Further information on MDPI's Special Issue policies and Guest Editor responsibilities can be found here. For any inquiries related to a Special Issue, please contact the Editorial Office.

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Molecular Dynamics Techniques in the Artificial Intelligence Era

edited by

Luciano Tavares Costa

Andrew S. Paluch

and Itamar Borges Junior

submission deadline 31 Dec 2025 | Viewed by 554 | Submission Open

Keywords: molecular dynamics; machine learning; force field; free energy; statistical mechanics; algorithm development; artificial intelligence

(This special issue belongs to the Section Molecular Informatics)

Bacterial Infections: Unraveling Pathogenesis, Resistance, and Therapeutic Frontiers

edited by

Jagoda Jablonska

submission deadline 31 Dec 2025 | 1 articles | Viewed by 538 | Submission Open

Keywords: antimicrobial resistance; host– pathogen interactions; bacterial molecular pathogenesis; therapeutic target discovery

(This special issue belongs to the Section Molecular Microbiology)

Molecular Entomology of Insects of Economic Importance: Advanced Molecular Approaches for Insect Pest Management

edited by

T. G. Emyr Davies

submission deadline 31 Dec 2025 | Viewed by 516 | Submission Open

Keywords: molecular entomology; insect pests; agricultural pests; disease vectors; beneficial insects; CRISPR; RNA interference; genome-wide approaches; computational biology; nanotechnology

(This special issue belongs to the Section Molecular Biology)

Role of Mesenchymal Stem/Stromal Cells (MSCs) in Human Diseases and Their Treatment

edited by

Mirjana Jerkic

submission deadline 31 Dec 2025 | Viewed by 505 | Submission Open

Keywords: mesenchymal stem/stromal cells (MSCs); MSC homing; MSC properties; immune cells; macrophages; injury; inflammation; cell therapy

(This special issue belongs to the Section Molecular Immunology)

Design of Polymer Composites for Biomedical Applications

edited by

Valentina Vassallo

submission deadline 31 Dec 2025 | Viewed by 504 | Submission Open

Keywords: biocompatibility; polymers; biomaterials; tissue regeneration; mesenchymal cells; wound healing

(This special issue belongs to the Section Materials Science)

Current Progress in Neutrophil Extracellular Traps (NETs)

edited by

Joanna Czerwińska

submission deadline 31 Dec 2025 | Viewed by 467 | Submission Open

Keywords: PAD4; NETs; autoimmune diseases; CECNs; autoantibodies

(This special issue belongs to the Section Molecular Immunology)

State-of-the-Art Electrochemical Reaction Technologies

edited by

Cornelia Bandas

and

Carmen Lǎzǎu

submission deadline 31 Dec 2025 | 1 articles | Viewed by 434 | Submission Open

Keywords: energy storage; electrochemical sensors; electrocatalysis; supercapacitors; molecular electrochemistry

(This special issue belongs to the Section Physical Chemistry and Chemical Physics)

Molecular Tools in Environmental Microbiology

edited by

Živilė Strazdaitė-Žielienė

and

Juliana Lukša

submission deadline 31 Dec 2025 | Viewed by 390 | Submission Open

Keywords: environmental microbiology; molecular methods; microbial community analysis; low-abundance microorganisms; microbial identification; environmental DNA; next-generation sequencing (NGS); high-throughput sequencing

(This special issue belongs to the Section Molecular Microbiology)

Detrimental and Beneficial Roles of Glial Cells After Neural Disorders

edited by

Walace Gomes-Leal

submission deadline 31 Dec 2025 | Viewed by 382 | Submission Open

Keywords: neuroprotection; neuroinflammation; cell therapy; microglia; astrocytes; oligodendrocytes; Janus face; double-edged sword

(This special issue belongs to the Section Molecular Neurobiology)

Microbial Metagenomics: From Basic Science to Biotechnological Applications

edited by Rafael Antonio Rojas-Herrera

submission deadline 31 Dec 2025 | Viewed by 368 | Submission Open

Keywords: metagenomic; microbial ecology; bioremediation; ecological resilience; extremozyme bioprospecting; biodiversity

(This special issue belongs to the Section Molecular Microbiology)

Functional Microbiomes and the Organization of Marine Communities: Molecular Biological Insights

edited by

Daniel Rittschof

submission deadline 31 Dec 2025 | Viewed by 354 | Submission Open

Keywords: marine communities; functional microbiomes; exoenzymes; chemical communication; organization of complex ecosystems

(This special issue belongs to the Section Molecular Microbiology)

Functional Genomics and Molecular Mechanisms of Plant Stress Responses

edited by

Zupeng Wang

submission deadline 31 Dec 2025 | Viewed by 346 | Submission Open

Keywords: plant stress responses; abiotic stress; biotic stress; molecular mechanisms; functional genomics

(This special issue belongs to the Section Molecular Plant Sciences)

Advances in Pathophysiology and Treatment of Atherosclerosis

edited by Graziano Riccioni

submission deadline 31 Dec 2025 | Viewed by 313 | Submission Open

Keywords: atherosclerosis; pathogenetic pathway; targeted therapies; cardiovascular disease; plaque development

(This special issue belongs to the Section Molecular Pathology, Diagnostics, and Therapeutics)

Medicinal Plants in Drug Discovery: Unveiling Potential Applications and Molecular Mechanisms

edited by Abdelhakim Bouyahya

submission deadline 31 Dec 2025 | Viewed by 311 | Submission Open

Keywords: bioactive compounds; pharmacodynamic; clinical efficacy; chemotherapeutic drugs

(This special issue belongs to the Section Bioactives and Nutraceuticals)

Molecular Research on Prostate Cancer, 2nd Edition

edited by

Yaser Gamallat

submission deadline 31 Dec 2025 | Viewed by 296 | Submission Open

Keywords: prostate cancer; molecular biology; genomics; biomarkers; signaling pathways; precision medicine; treatment resistance; epigenetics; therapeutic targets

(This special issue belongs to the Section Molecular Pathology, Diagnostics, and Therapeutics)

Targeted Pharmacological Modulation of Cellular Pathology and Drug Discovery: A Translational Approach to Bridge Laboratory Discoveries with Clinical Practice

edited by Saurav Mallik

submission deadline 31 Dec 2025 | 1 articles | Viewed by 294 | Submission Open

Keywords: targeted pharmacotherapy; cellular pathology; translational medicine; drug mechanism of action; signal transduction modulation; precision medicine; apoptosis and autophagy; biomarker-guided therapy; pathophysiology-driven drug design; clinical applications of molecular targets; molecular docking

(This special issue belongs to the Section Molecular Pharmacology)

Macrophage Plasticity: Beyond the M1–M2 Paradigm

edited by

Håkan Eriksson

submission deadline 31 Dec 2025 | Viewed by 242 | Submission Open

Keywords: macrophage; plasticity; microenvironment; polarization; epigenetic modulation; phagocytosis

(This special issue belongs to the Section Molecular Immunology)

Advances in Dendritic Cell-Based Immunotherapy of Cancer

edited by Helena Haque Chowdhury and Matjaz Jeras

submission deadline 31 Dec 2025 | Viewed by 226 | Submission Open

Keywords: DC-based immunotherapy of cancer; immunostimulatory dendritic cell (DC) generation; dosage and routes of DC administration; body distribution of DCs post-application; frequency and duration of DC applications; tumour immunosuppressive mechanisms’ modulation; combinatorial DC-based anticancer immunotherapy

(This special issue belongs to the Section Molecular Immunology)

Advancements in Inflammatory and Oxidative Disease Research

edited by

Sandra Barbalho

submission deadline 31 Dec 2025 | Viewed by 226 | Submission Open

Keywords: diabetes; cancer; neurological diseases; inflammation; oxidative stress; endocrinology; gastroenterology; pulmonology; rheumatology; cardiology; neurology; nephrology; dermatology

(This special issue belongs to the Section Molecular Pathology, Diagnostics, and Therapeutics)

Organoid Models in Host–Pathogen Interactions and Disease Pathogenesis

edited by

Apichai Tuanyok

submission deadline 31 Dec 2025 | Viewed by 222 | Submission Open

Keywords: organoids; host– pathogen interaction; infectious disease models; mucosal immunity; tissue engineering; microbial pathogenesis; immune organoids; 3D culture systems

(This special issue belongs to the Section Molecular Biology)

Microtubule Cytoskeleton, Motor Proteins, and Other Cytoskeleton-Associated Proteins

edited by

Tibor Szénási

submission deadline 31 Dec 2025 | Viewed by 214 | Submission Open

Keywords: microtubule cytoskeleton; motor proteins (kinesins and dyneins); cytoskeleton-associated proteins; cytoskeletal “ cross-talk” ; intracellular transport; cellular signaling and regulation; cellular processes (mitosis; migration; and polarity)

(This special issue belongs to the Section Biochemistry)

Synthetic Lethality Strikes: Outsmarting Cancer with Precision Medicine

edited by

Stefania Butini

submission deadline 31 Dec 2025 | Viewed by 212 | Submission Open

Keywords: synthetic lethality; precision medicine; DDR modulators; non-DDR modulators; cancer; BRCA; PARP; RAD51; RAD52

(This special issue belongs to the Section Molecular Oncology)

Decoding Cardiovascular Disease: From Molecular Mechanisms to Clinically Translational Innovations

edited by Lisa Kitasato

submission deadline 31 Dec 2025 | Viewed by 201 | Submission Open

Keywords: cardiovascular disease; molecular mechanisms; translational research; biomarkers; cardiac remodeling; oxidative stress; inflammation; precision medicine; systems biology; regenerative cardiology

(This special issue belongs to the Section Molecular Pathology, Diagnostics, and Therapeutics)

Plant Responses to Microorganisms and Insects

edited by

Sumit Jangra

submission deadline 31 Dec 2025 | Viewed by 199 | Submission Open

Keywords: biotic stresses; crop protection; signaling molecules; transcriptomics; proteomics; microRNAs; resistance mechanism; plant– microbe– vector interactions

(This special issue belongs to the Section Molecular Plant Sciences)

Molecular, Cellular Mechanism of Oxidative Stress in Physiological and Pathophysiological Conditions, 2nd Edition

edited by Dominika Marta Stygar

submission deadline 31 Dec 2025 | Viewed by 199 | Submission Open

Keywords: oxidative stress; inflammation; obesity; civilization; diseases; molecular mechanism; cellular mechanism; biomarkers; bacterial and viral diseases; environmental stress

(This special issue belongs to the Section Molecular Pathology, Diagnostics, and Therapeutics)

New Insights into Antimicrobial Peptides with Anticancer Activity

edited by

Esther Imperlini

submission deadline 31 Dec 2025 | Viewed by 195 | Submission Open

Keywords: antimicrobial peptides; cytotoxicity; selective anticancer drugs; omics approaches; anticancer peptide action

(This special issue belongs to the Section Biochemistry)

Molecular Research on the Pathology and Treatment of Sepsis and Non-Infectious Inflammatory Conditions

edited by

Andressa Freitas

submission deadline 31 Dec 2025 | 1 articles | Viewed by 194 | Submission Open

Keywords: sepsis; comorbidities; inflammation; molecular mechanisms; cytokine signaling; oxidative stress; leukocyte recruitment; therapeutic targets

(This special issue belongs to the Section Molecular Immunology)

Consensus-Based Approaches to Rational Drug Design and Predictive Toxicology

edited by

Fernando Daniel Prieto-Martínez

submission deadline 31 Dec 2025 | Viewed by 191 | Submission Open

Keywords: drug design; bioactive compounds; pharmacophore; molecular dynamics; protein– ligand interactions; activity cliffs; machine learning

(This special issue belongs to the Section Molecular Toxicology)

Computational Approaches in Drug Discovery and Design: From Molecular Modeling to Translational Applications

edited by

Przemysław Czeleń

submission deadline 31 Dec 2025 | Viewed by 190 | Submission Open

Keywords: computational drug discovery; molecular modeling; AI-driven drug design; molecular dynamics simulations; quantum chemistry; structure-based drug design; machine learning in pharmacology; virtual screening and docking; ADMET prediction; personalized medicine modeling

(This special issue belongs to the Section Molecular Informatics)

The Role of Iron in Human Physiology: Molecular Mechanisms and Therapeutic Applications

edited by

Alireza Morovat

submission deadline 31 Dec 2025 | Viewed by 189 | Submission Open

Keywords: iron; hepcidin; ferroportin; ferritin; transferrin; metabolic regulation; cell signaling; cellular processes; mitochondrial function; stress response; inflammation; ferroptosis; gene regulation; disorders

(This special issue belongs to the Section Molecular Biology)

Toxicology Research: Understanding and Predicting Compound—Induced Toxicity

edited by

Georgios Pampalakis

and

Eleni Zingkou

submission deadline 31 Dec 2025 | Viewed by 185 | Submission Open

Keywords: molecular toxicology; emerging toxicology; drug-induced toxicity; organ toxicology; animal models; in silico toxicology; in vitro models; pesticides; industrial chemicals

(This special issue belongs to the Section Molecular Toxicology)

Protein-Targeted Therapeutics: Functional Modulation in Disease Pathways

edited by

Sung-Kun (Sean) Kim

submission deadline 31 Dec 2025 | Viewed by 181 | Submission Open

Keywords: protein-targeted therapeutics; proteins inhibitors; ligand binding; conformational changes

(This special issue belongs to the Section Biochemistry)

Advances in Drug Synthesis Reactions: From Bench to Breakthroughs

edited by

Hadia Almahli

submission deadline 31 Dec 2025 | Viewed by 177 | Submission Open

Keywords: organic synthesis; sustainability; scale-up synthesis; bio-orthogonal reactions; flow chemistry; green chemistry; natural product scaffolds; electrochemical synthesis; chemoenzymatic synthesis; automated and high-throughput synthesis

(This special issue belongs to the Section Molecular Pharmacology)

Latest Review Papers in “Materials Science” Section

edited by

David P. Mills

submission deadline 31 Dec 2025 | Viewed by 176 | Submission Open

Keywords: biomaterials; coatings; materials phenomena; machine learning; nanocomposites; artificial intelligence

(This special issue belongs to the Section Materials Science)

Molecular and Cellular Research on Adipose Tissue Development and Functions, 2nd Edition

edited by

Younghoon Jang

submission deadline 31 Dec 2025 | Viewed by 174 | Submission Open

Keywords: adipose tissue; development; expansion; white adipose tissue; brown adipose tissue; beige adipose tissue; adipocytes; adipogenesis; lipogenesis; peroxisome proliferator-activated receptor gamma (PPAR-γ ); CCAAT enhancer binding proteins (CEBP-α ; CEBP-β ; and CEBP-δ ); carbohydrate response element binding protein (ChREBP)

(This special issue belongs to the Section Molecular Biology)

Fractalkine (CX3CL1) and Its Chemoattractant and Adhesion Molecule Properties in Health and Disease, 2nd Edition

edited by Dariusz Szukiewicz

submission deadline 31 Dec 2025 | Viewed by 173 | Submission Open

Keywords: fractalkine; transmembrane fractalkine; soluble fractalkine; fractalkine receptor; CX3CL1-CX3CR1 signaling; inflammation; chemokine; cell adhesion; chemotaxis; immune response; angiogenesis; implantation; atherosclerosis; carcinogenesis

(This special issue belongs to the Section Molecular Pathology, Diagnostics, and Therapeutics)

Early Diagnosis and Advanced Therapies of Genetic Disorders

edited by

Milen Velinov

submission deadline 31 Dec 2025 | Viewed by 172 | Submission Open

Keywords: genetic disorders; rare diseases; disease diagnostics; therapeutic targets; gene variants

(This special issue belongs to the Section Molecular Pathology, Diagnostics, and Therapeutics)

Advanced in In Silico Methods for Rational Drug Design and Predictive Toxicology

edited by

Gnanendra Shanmugam

submission deadline 31 Dec 2025 | Viewed by 172 | Submission Open

Keywords: rational drug design; predictive toxicology; molecular modeling; AI in drug discovery; QSAR; molecular docking; ADMET

(This special issue belongs to the Section Molecular Informatics)

Molecular Mechanisms Associated with Exercise for Health and Performance

edited by Ciro José Brito

submission deadline 31 Dec 2025 | Viewed by 163 | Submission Open

Keywords: exercise science; sports medicine; aging; genetic and exercise; endocrinology; immunology

(This special issue belongs to the Section Molecular Biology)

Immunological Control of Vascular Plasticity: Insights into Arteriogenesis, Angiogenesis, and Atherosclerosis

edited by

Elisabeth Deindl

and

Hector A. Cabrera-Fuentes

submission deadline 31 Dec 2025 | Viewed by 159 | Submission Open

Keywords: vascular plasticity; arteriogenesis; angiogenesis; atherosclerosis; immune modulation; inflammation and vascular remodeling; translational vascular immunology; smooth muscle cell-/endothelial cell proliferation; sterile inflammation; collateral artery growth

(This special issue belongs to the Section Molecular Immunology)

Synthesis and Structural Studies of Potential Anticancer Drugs

edited by Janusz Madaj

submission deadline 31 Dec 2025 | Viewed by 154 | Submission Open

Keywords: medicinal chemistry; drug discovery; design and synthesis of bioactive compounds; molecular modeling; X-ray crystallography; structure– activity relationships; structure-based drug design

(This special issue belongs to the Section Molecular Pharmacology)

The Gut Microbiota—Its Role and Molecular Mechanisms in Nutritional Health

edited by

Xi Ma

and Peng Tan

submission deadline 31 Dec 2025 | Viewed by 151 | Submission Open

Keywords: gut microbiota; microbiome; mucosal immunity; probiotics; omics; dysbiosis; microbiota– host interactions; microbiota manipulation

(This special issue belongs to the Section Molecular Microbiology)

Molecular Mechanisms of Nitric Oxide in Cardiovascular System

edited by

Elena Grossini

submission deadline 31 Dec 2025 | Viewed by 150 | Submission Open

Keywords: heart; nitric oxide; oxidative stress; pathways; protection; therapy; vascular

(This special issue belongs to the Section Molecular Pathology, Diagnostics, and Therapeutics)

Molecular Genetics and Genomics of Neurodevelopmental Disorders

edited by

Elisabetta Bolognesi

and

Franca Rosa Guerini

submission deadline 31 Dec 2025 | Viewed by 144 | Submission Open

Keywords: neurodevelopmental disorders; genetics; molecular biology; biomarkers; epigenetics; precision medicine; rare variants; common variants; artificial intelligence; machine learning

(This special issue belongs to the Section Molecular Genetics and Genomics)

Systemic Lupus: Molecular Research, New Biomarkers and Novel Therapy

edited by Juan Pablo Mackern-Oberti

submission deadline 31 Dec 2025 | Viewed by 142 | Submission Open

Keywords: lupus; biomarkers; autoimmunity; inflammation; therapy; treatment; endocrine; prolactin; stress; T cell and B cell activation; T cell and B cell proliferation; antigenic immunosuppression

(This special issue belongs to the Section Molecular Pathology, Diagnostics, and Therapeutics)

Advances in Neuropharmacology in Neurodegenerative Disorders

edited by

Ichiro Kawahata

submission deadline 31 Dec 2025 | Viewed by 142 | Submission Open

Keywords: neuropharmacology; neurodegenerative disorders; cognitive dysfunction; motor dysfunction; drug discovery; neuroprotection; neurogenesis; brain plasticity; biomarkers; AI (artificial intelligence)

(This special issue belongs to the Section Molecular Pathology, Diagnostics, and Therapeutics)

Molecular and Cellular Basis of Oral Immunology

edited by

Kenichi Kumagai

submission deadline 31 Dec 2025 | Viewed by 142 | Submission Open

Keywords: oral immunology; oral mucosa; immune tolerance; oral microbiome; oral diseases; periodontium; innate immunity; adaptive immunity

(This special issue belongs to the Section Molecular Immunology)

Micro/Nano-Structure Regulation of Two-Dimensional Materials

edited by

Ning Wang

submission deadline 31 Dec 2025 | Viewed by 138 | Submission Open

Keywords: 2D materials; micro/nano-engineering; structure– property relationships

(This special issue belongs to the Section Materials Science)

Recent Advances in Genome-Edited Animal Models

edited by Takayuki Sakurai and

Masahiro Sato

submission deadline 31 Dec 2025 | Viewed by 138 | Submission Open

Keywords: genome editing; prime editing; base editing; CRISPRa/CRISPRi; knock-in/out; conditional genome editing; multiplex genome editing; manipulation of early embryos and germ cells; in vivo gene delivery; genome-edited animals; disease animal model

(This special issue belongs to the Section Molecular Genetics and Genomics)

Targeted Peptide Drugs for Metabolic Diseases

edited by

Lukasz Buldak

submission deadline 31 Dec 2025 | Viewed by 138 | Submission Open

Keywords: metabolic disorders; peptide drugs; MASLD; receptor targeting; lipid regulation

(This special issue belongs to the Section Molecular Endocrinology and Metabolism)

Displaying special issue 951-1000 on page 20 of 70.

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