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

edited by

Przemysław Czeleń

submission deadline 31 Dec 2025 | Viewed by 180 | 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)

Protein-Targeted Therapeutics: Functional Modulation in Disease Pathways

edited by

Sung-Kun (Sean) Kim

submission deadline 31 Dec 2025 | Viewed by 179 | Submission Open

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

(This special issue belongs to the Section Biochemistry)

State-of-the-Art Electrochemical Reaction Technologies

edited by

Cornelia Bandas

and

Carmen Lǎzǎu

submission deadline 31 Dec 2025 | 1 articles | Viewed by 175 | Submission Open

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

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

Latest Review Papers in “Materials Science” Section

edited by

David P. Mills

submission deadline 31 Dec 2025 | Viewed by 174 | 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 167 | 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)

Early Diagnosis and Advanced Therapies of Genetic Disorders

edited by

Milen Velinov

submission deadline 31 Dec 2025 | Viewed by 164 | 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 164 | 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)

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 163 | 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)

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

edited by

Andressa Freitas

submission deadline 31 Dec 2025 | Viewed by 162 | 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)

Advances in Drug Synthesis Reactions: From Bench to Breakthroughs

edited by

Hadia Almahli

submission deadline 31 Dec 2025 | Viewed by 160 | 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)

Molecular Mechanisms Associated with Exercise for Health and Performance

edited by Ciro José Brito

submission deadline 31 Dec 2025 | Viewed by 158 | 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 152 | 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 144 | 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)

Molecular Mechanisms of Nitric Oxide in Cardiovascular System

edited by

Elena Grossini

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

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

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

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 142 | 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 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)

Molecular Genetics and Genomics of Neurodevelopmental Disorders

edited by

Elisabetta Bolognesi

and

Franca Rosa Guerini

submission deadline 31 Dec 2025 | Viewed by 140 | 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)

Advances in Neuropharmacology in Neurodegenerative Disorders

edited by

Ichiro Kawahata

submission deadline 31 Dec 2025 | Viewed by 139 | 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)

Systemic Lupus: Molecular Research, New Biomarkers and Novel Therapy

edited by Juan Pablo Mackern-Oberti

submission deadline 31 Dec 2025 | Viewed by 139 | 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)

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)

Micro/Nano-Structure Regulation of Two-Dimensional Materials

edited by

Ning Wang

submission deadline 31 Dec 2025 | Viewed by 136 | Submission Open

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

(This special issue belongs to the Section Materials Science)

Natural Products in Cancer Prevention and Treatment—Second Edition

edited by

Simona Serini

and

Gabriella Calviello

submission deadline 31 Dec 2025 | Viewed by 132 | Submission Open

Keywords: natural products; cancer; therapeutic strategies; novel molecular pathways

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

Molecular Research on Embryo Developmental Potential: 2nd Edition

edited by

Jan Tesarik

submission deadline 31 Dec 2025 | Viewed by 131 | Submission Open

Keywords: embryo developmental potential; oocyte quality; sperm quality; non-invasive techniques; molecular biomarkers

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

Epigenetic Mechanisms in Pain

edited by Hsien-Yu Peng

submission deadline 31 Dec 2025 | Viewed by 129 | Submission Open

Keywords: chronic pain; epigenetics; molecular biomarkers; neural plasticity; ion channel function; synaptic transmission; therapeutic strategies

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

Recent Advances in Genome-Edited Animal Models

edited by Takayuki Sakurai and

Masahiro Sato

submission deadline 31 Dec 2025 | Viewed by 129 | 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)

Molecular Adaptations of Arthropod Vectors to Oxidative Stress

edited by

Francisco José Alves Lemos

submission deadline 31 Dec 2025 | Viewed by 127 | Submission Open

Keywords: oxidative stress; arthropod vectors; molecular adaptation; redox biology; proteomics; stress response mechanisms

(This special issue belongs to the Section Molecular Biology)

Molecular and Electrochemical Mechanisms of Metal Corrosion

edited by

Mehrdad Faraji

submission deadline 31 Dec 2025 | Viewed by 127 | Submission Open

Keywords: metal corrosion; molecular mechanisms; electrochemistry; surface chemistry; corrosion inhibitors; passivation

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

Exploring Molecular Mechanisms of Prostate Cancer

edited by

Estefania Labanca

submission deadline 31 Dec 2025 | Viewed by 125 | Submission Open

Keywords: genetic alterations; signlaing pathways; cellular dysregulation; non-coding RNAs; epigenetics; tumor microenvironment; metabolic factors; therapuetic targeting; multi-modal approaches

(This special issue belongs to the Section Molecular Oncology)

Genetic Susceptibility in Human Diseases

edited by Xiaowu Gai

submission deadline 31 Dec 2025 | Viewed by 124 | Submission Open

Keywords: bioinformatics; genomics; genetic susceptibility to disease; genetic variation; gene– environment interactions; biomarkers; epigenetic mechanisms; pharmacogenomics; population genetics; bioinformatics tools and databases; novel diagnostics; targeted therapies

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

New Discoveries in Virus–Cytoskeleton Regulation

edited by

Agustín Valenzuela-Fernández

submission deadline 31 Dec 2025 | Viewed by 124 | Submission Open

Keywords: viruses; cytoskeleton dynamics; actin; tubulin and intermediate filaments; infection; pathogenesis; therapies

(This special issue belongs to the Section Molecular Biology)

Gut Microbiota in Human Disease and Health: 2nd Edition

edited by

Silvia Turroni

and

Federica D'Amico

submission deadline 31 Dec 2025 | Viewed by 124 | Submission Open

Keywords: gut microbiota; human disease; human health; omics; microbiota– host interactions; microbiota manipulation

(This special issue belongs to the Section Molecular Microbiology)

Molecular Mechanisms and Pathophysiology of Peripheral Neuropathies and Neuromuscular Disorders

edited by

Eleonora Galosi

submission deadline 31 Dec 2025 | Viewed by 122 | Submission Open

Keywords: peripheral neuropathies; neuromuscular disorders; small fiber neuropathy; neuropathic pain; nerve regeneration; molecular pathways; next-generation sequencing

(This special issue belongs to the Section Molecular Neurobiology)

Molecular Insights into Skin Health and Disease

edited by Federica Li Pomi

submission deadline 31 Dec 2025 | Viewed by 122 | Submission Open

Keywords: dermatology; molecular mechanisms; targeted therapy; biomarkers

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

Emerging Therapeutic Approaches and Novel Targets in Fibrosis Treatment

edited by

Akrivi Chrysanthopoulou

submission deadline 31 Dec 2025 | Viewed by 118 | Submission Open

Keywords: organ fibrosis; tissue fibrosis; regenerative medicine; fibroblasts; chronic inflammation; immune mechanisms; wound healing; injured epithelium or endothelium; epithelial– mesenchymal transformation; treatment; therapies; therapeutic approaches; diagnosis; prognosis; antifibrotic agents

(This special issue belongs to the Section Molecular Immunology)

Pathogenesis of Central Nervous System Disorders, Interplay and Multifaceted Role of Glial Cells and Neuroprotective Mechanisms

edited by Matilde Balbi

submission deadline 31 Dec 2025 | Viewed by 117 | Submission Open

Keywords: neurodegenerative disease; CNS disorders; glial cells; glia-cross talk; extracellular vesicles; calcium pathway; neuroinflammation; autophagy; excitotoxicity; glial phenotype

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

Cellular, Immune and Molecular Pathways of Injury and Disease in Forensic and Legal Medicine

edited by

Sorin Hostiuc

submission deadline 31 Dec 2025 | Viewed by 117 | Submission Open

Keywords: molecular autopsy; cellular injury pathways; ischemia and hypoxia markers; molecular profiling of fatal injuries; forensic genetics and toxicogenomic

(This special issue belongs to the Section Molecular Biology)

Endometrial Cancer: From Molecular Insights to Treatment

edited by Giuseppe Angelico

submission deadline 31 Dec 2025 | Viewed by 116 | Submission Open

Keywords: endometrial cancer; molecular classification; TCGA; precision oncology; immunotherapy; targeted therapy; biomarkers; tumor microenvironment; genomics; personalized medicine

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

Molecular Insights into Skin Allergies: Cross-Disciplinary Approaches to Diagnosis and Therapy

edited by

Montserrat Fernández-Guarino

, Belén De la Hoz and

Javier Martínez-Botas

submission deadline 31 Dec 2025 | Viewed by 115 | Submission Open

Keywords: skin allergy; dermatology; allergy management; allergic reaction; topical immune response

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

Anti-Cancer Effects of Natural Products: 2nd Edition

edited by

Moon Nyeo Park

submission deadline 31 Dec 2025 | Viewed by 115 | Submission Open

Keywords: cancer; natural products; herbal medicine; anticancer therapies; metastasis; recurrence; resistance mechanism; novel biomarker

(This special issue belongs to the Section Molecular Pharmacology)

Advances in Autoimmune Diseases: The Molecular Basis and New Therapies

edited by

Adawi Mohammad

submission deadline 31 Dec 2025 | Viewed by 114 | Submission Open

Keywords: autoimmunity; molecular mechanisms; biologics; immunotherapy; precision medicine

(This special issue belongs to the Section Molecular Immunology)

Phytochemical Insights and Green Extraction Strategies for Bioactive Natural Compounds

edited by

Ana M. L. Seca

and

Gonçalo Pereira da Rosa

submission deadline 31 Dec 2025 | Viewed by 114 | Submission Open

Keywords: plant and algal bioactive metabolites; phytochemistry; green extraction techniques; natural sustainable solvents (NADES); structural elucidation of natural molecules; molecular characterization

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

Recombinant Proteins and Antibody Engineering for Diagnostic and Treatment of Emerging Infectious Diseases

edited by

Gustavo Helguera

submission deadline 31 Dec 2025 | Viewed by 114 | Submission Open

Keywords: recombinant proteins; antibody engineering; monoclonal antibodies; hemorrhagic fevers; tuberculosis; emerging infectious diseases; neglected viruses; diagnostics; therapeutic antibodies

(This special issue belongs to the Section Molecular Immunology)

Natural Products and Drug Delivery Systems in Dental Diseases

edited by

Rafael Scaf De Molon

submission deadline 31 Dec 2025 | Viewed by 114 | Submission Open

Keywords: periodontitis; natural products; anti-inflammatory therapy; local drug delivery; gingival inflammation; regenerative periodontics; nanotechnology in dentistry; herbal medicine; antimicrobial agents; oral microbiome modulation; signaling pathways

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

RNA Biology: Unraveling the Complex Interplay Between Proteins and RNAs in Gene Expression and Regulation, 2nd Edition

edited by

Rosemary Kiernan

submission deadline 31 Dec 2025 | Viewed by 114 | Submission Open

Keywords: RNA biology; protein– RNA interplay; gene expression; post-transcriptional modifications; non-coding RNAs

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

Cell Penetrating Peptides: Novel Therapeutic Tools for Drug Delivery

edited by

Betty Revon Liu

submission deadline 31 Dec 2025 | Viewed by 112 | Submission Open

Keywords: cell-penetrating peptides; peptide design; drug delivery; controlled and release; clinical applica-tions; penetration mechanisms

(This special issue belongs to the Section Molecular Pharmacology)

Novel Biochemical, Genetic, and Molecular Biology Approaches in Human Reproduction

edited by Athanasios Zikopoulos

submission deadline 31 Dec 2025 | Viewed by 110 | Submission Open

Keywords: reproductive biology; infertilit; epigenetics in reproduction; maternal-fetal health; precision medicine

(This special issue belongs to the Section Molecular Biology)

Molecular Crosstalk in Stress-Induced Psychopathology

edited by Ilaria Demori and

Natalia V. Gulyaeva

submission deadline 31 Dec 2025 | Viewed by 110 | Submission Open

Keywords: Depression; Anxiety; Post-traumatic stress disorder; Early life stress; Microbiota– gut– brain axis; Blood– brain barrier; Neurotransmission; Neuroinflammation; Eating disorders; Addiction; Psychoneuroendocrineimmunology; Allostasis

(This special issue belongs to the Section Molecular Neurobiology)

Molecular Mechanisms Underlying the Involvement of Cytomegalovirus in the Progression of Multiple Sclerosis

edited by

Marco Miceli

submission deadline 31 Dec 2025 | Viewed by 109 | Submission Open

Keywords: multiple sclerosis; central nervous system; autoimmune; genetic and environmental factors; herpesviruses; CMV; immunopathology

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

Advances in Stem Cell Biology and Translational Medicine

edited by Yangluowa Qu

submission deadline 31 Dec 2025 | Viewed by 109 | Submission Open

Keywords: stem cell regulation; differentiation; proliferation; self-renewal; stem cell-based therapy; tissue engineering; translational research

(This special issue belongs to the Section Molecular Biology)