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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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Beyond Docking Scores: Decision-Centric Computer-Aided Drug Discovery

edited by

Rescifina Antonio

and

Rocco Buccheri

submission deadline 31 Dec 2026 | 1 articles | Viewed by 586 | Submission Open

Keywords: computer-aided drug discovery; hit prioritization; prospective validation; polypharmacology; selectivity profiling; developability; false-positive reduction; multi-parameter optimization; uncertainty-aware ranking; translational medicinal chemistry

(This special issue belongs to the Section Molecular Informatics)

Interfacial Chemistry, Conformational Dynamics, and Molecular Assemblies of Amphiphilic Molecules

edited by

Mihalj Poša

submission deadline 31 Dec 2026 | 1 articles | Viewed by 585 | Submission Open

Keywords: amphiphiles; surfactants; surface equations of state (SEOS); binary mixture of amphiphiles; conformations of amphiphiles; micellar aggregates; solubilization; thermodynamics of micelle formation; Jesús Gracia-Fadrique's surface pressure; enthalpy–entropy compensation

(This special issue belongs to the Section Biochemistry)

Functional Genomics of Rare Variants in Human Disease

edited by

Salvatore Saccone

submission deadline 31 Dec 2026 | 1 articles | Viewed by 583 | Submission Open

Keywords: rare genetic variants; functional genomics; variant interpretation; next-generation sequencing; genome editing; neurodevelopmental disorders; Mendelian diseases; multi-omics integration; gene regulation; precision medicine

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

Molecular Advances in Three-Dimensional Cell Culture: From Bioengineering Innovation and Therapeutic Application

edited by Jong-Young Kwak

submission deadline 31 Dec 2026 | 1 articles | Viewed by 581 | Submission Open

Keywords: 3D culture; biomaterials; scaffold; tissue engineering; regenerative medicine

(This special issue belongs to the Section Molecular Biology)

Advances in Immunology in Health and Disease

edited by

Adli Ali

submission deadline 31 Dec 2026 | 1 articles | Viewed by 580 | Submission Open

Keywords: immunodeficiencies; autoimmunity; inflammation; immunometabolism; neuroinflammation; immunotherapy; immunophenotyping; biomarkers; infection; precision medicine; immunogenetics

(This special issue belongs to the Section Molecular Immunology)

Amino Acid Nutrition and Human Health

edited by

Terrence Piva

submission deadline 31 Dec 2026 | Viewed by 568 | Submission Open

Keywords: amino acids; dietary intake; metabolic disease; starvation; obesity; supplementation; parental nutrition; gene expression; tumour metabolism

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

Sustainable Polymers: From Molecular Fundamentals to Real-World Applications

edited by

Zahid Iqbal Khan

submission deadline 31 Dec 2026 | Viewed by 561 | Submission Open

Keywords: sustainable polymers; recycled plastics; bio-based polymers; polymer blends; nanocomposites; membrane technology; water purification; CO2 capture

(This special issue belongs to the Section Materials Science)

Molecular and Physiological Effects of Exercise in Cachexia

edited by

Marilia Seelaender

and

Fábio Santos Lira

submission deadline 31 Dec 2026 | Viewed by 554 | Submission Open

Keywords: cachexia; skeletal muscle mass; skeletal muscle strength; exercise; muscle metabolism

(This special issue belongs to the Section Molecular Biology)

Sustainable Approaches in Medicinal Chemistry: Innovation in Green Chemistry Methodologies

edited by

Davide Moi

submission deadline 31 Dec 2026 | 1 articles | Viewed by 551 | Submission Open

Keywords: green chemistry; drug discovery; drug design; molecular biology; flow chemistry; mechanochemistry

(This special issue belongs to the Section Molecular Pharmacology)

Seed Development and Germination

edited by

Muhammad Ali Mumtaz

submission deadline 31 Dec 2026 | 1 articles | Viewed by 544 | Submission Open

Keywords: seed development; seed germination; seed quality assessment; seedborne pathogens; abiotic stress and seeds; seed omics

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

Cellular Mechanisms of Pulmonary Arterial Hypertension

edited by

David P Marciano

and Saurabh Aggarwal

submission deadline 31 Dec 2026 | Viewed by 539 | Submission Open

Keywords: pulmonary arterial hypertension (PAH); pulmonary vascular remodeling; endothelial cells; endothelial dysfunction; smooth muscle cells; hyperplasia; pericytes; fibroblasts; monocytes; macrophage; neutrophil; mechanotransduction; oxidative stress; cytokines; extracellular vesicles; extracellular matrix; epigenetics; metabolism; biomarkers; therapeutics

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

Genomic and Molecular Insights into Emerging and Reemerging Pathogens

edited by

Fabio Scarpa

submission deadline 31 Dec 2026 | Viewed by 535 | Submission Open

Keywords: pathogens genomic analysis; evolution transmission dynamics; pathogenic mechanisms; viruses; bacteria; fungi; parasites; next-generation sequencing; metagenomics; bioinformatics; genetic variations; adaptive mutations; host–pathogen interactions; emerging pathogens; molecular epidemiology; host immune responses; pathogen genetics

(This special issue belongs to the Section Molecular Immunology)

Transformative Computational and AI Approaches for Precision Drug Discovery

edited by Danishuddin and

Md Azizul Haque

submission deadline 31 Dec 2026 | 1 articles | Viewed by 535 | Submission Open

Keywords: precision drug discovery; AI-driven drug design; computational drug discovery; molecular docking and simulation; machine learning and deep learning; multi-omics integration; ADME/toxicity prediction; network pharmacology; precision medicine and therapeutics; bioinformatics

(This special issue belongs to the Section Molecular Informatics)

Mechanisms and Applications of Heterosis in Plants

edited by

Wenxin Liu

submission deadline 31 Dec 2026 | Viewed by 534 | Submission Open

Keywords: heterosis; mechanism; prediction; application; breeding; plant

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

Soil Nutrient Cycling and Microbial Driving Mechanisms

edited by

Mohsin Mahmood

submission deadline 31 Dec 2026 | 1 articles | Viewed by 509 | Submission Open

Keywords: soil nutrient cycling; microbial driving mechanisms; soil–plant–microbe interactions; carbon, nitrogen, and phosphorus dynamics; soil biogeochemistry; microbial communities and functions; rhizosphere processes; climate change impacts on soils; sustainable nutrient management; biochar and nanotechnology applications; soil health and fertility; biogeochemical transformations; stress environments (salinity, drought, contamination)

(This special issue belongs to the Section Molecular Microbiology)

Emerging Biomarkers of Inflammation and Cancer: From Molecular Pathways to Clinical Stratification

edited by

Ciriaco Carru

and

Donatella Coradduzza

submission deadline 31 Dec 2026 | Viewed by 499 | Submission Open

Keywords: chronic inflammation; cancer biomarkers; inflammatory indices; non-coding RNAs; clinical translation

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

Ovarian Insufficiency: From Molecular Pathology to Novel Therapeutic Approach

edited by Aleksandar Ljubić

submission deadline 31 Dec 2026 | Viewed by 493 | Submission Open

Keywords: ovarian insufficiency; premature ovarian insufficiency; molecular pathology; regenerative medicine; stem cell therapy; platelet-rich plasma; epigenetics; intraovarian treatment; ovarian stem cells; mitochondrial dysfunction

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

Machine Learning–Based Perspectives in Plant Biology

edited by Silas Pessini Rodrigues

submission deadline 31 Dec 2026 | Viewed by 493 | Submission Open

Keywords: machine learning; artificial intelligence; plant molecular biology; multi-omics integration; feature selection; gene prioritization; plant stress responses; high-throughput phenotyping; crop improvement; biotechnology

(This special issue belongs to the Section Molecular Informatics)

Drug Discovery: Natural Products and Compounds—2nd Edition

edited by

Vincenzo Summa

Maria Maisto

and

Vincenzo Piccolo

submission deadline 31 Dec 2026 | 1 articles | Viewed by 482 | Submission Open

Keywords: natural products; drug discovery; bioactive compounds; phytochemicals; marine natural compounds; microorganisms; structure–activity relationships (SARs); pharmacological activity; cheminformatics; metabolomics

(This special issue belongs to the Section Molecular Pharmacology)

3D Printing and Biomaterials for Hearing and Balance Restoration

edited by

Chenkai Dai

submission deadline 31 Dec 2026 | Viewed by 478 | Submission Open

Keywords: hearing; balancing; 3D printing; biomaterial

(This special issue belongs to the Section Materials Science)

Molecular Study of Foodborne Pathogens

edited by

Valeria Russini

and

Maria Laura De Marchis

submission deadline 31 Dec 2026 | Viewed by 475 | Submission Open

Keywords: foodborne pathogens; microbiology; molecular analysis; foodborne outbreak investigation; epidemiology; listeria monocytogenes; salmonella; campylobacter; virulence genes; antimicrobial gene; WGS; NGS

(This special issue belongs to the Section Molecular Microbiology)

Novel Therapeutic Strategies for Hepatocellular Carcinoma

edited by

Soon Kyu Lee

submission deadline 31 Dec 2026 | Viewed by 463 | Submission Open

Keywords: hepatocellular carcinoma; immune checkpoint inhibitors; tyrosine kinase inhibitors; radiotherapy; embolization; surgery; transplantation

(This special issue belongs to the Section Molecular Oncology)

Advances in Plant–Pathogen Interactions (4th Edition)

edited by

Fucheng Lin

submission deadline 31 Dec 2026 | Viewed by 461 | Submission Open

Keywords: host; effection; pathogenicity; pathogen; plant immunity; interactions

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

Metabolic Dysfunction-Associated Steatotic Liver Disease (MASLD) and Adipose Tissue–Liver Crosstalk: Mechanisms and Therapeutic Opportunities

edited by Lei Hao

submission deadline 31 Dec 2026 | 1 articles | Viewed by 460 | Submission Open

Keywords: metabolic dysfunction-associated steatotic liver disease (MASLD); metabolic dysfunction-associated steatohepatitis (MASH); adipose tissue–liver crosstalk; brown adipose tissue (BAT); beige adipocytes; white adipose tissue (WAT); thermogenesis; adipokines; hepatokines; energy metabolism

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

Cutting-Edge Research and Advancements in Neurodegenerative Diseases

edited by Meera Soundararajan

submission deadline 31 Dec 2026 | Viewed by 453 | Submission Open

Keywords: neurodegenerative disorders; neurons; Alzheimer’s disease; Parkinsons disease; Amyotrophic Lateral Sclerosis (ALS); prion diseases; Huntington disease

(This special issue belongs to the Section Molecular Neurobiology)

Molecular Dynamics of the Oral Microbiome in Periodontal Health and Disease

edited by

John Yun Niu

submission deadline 31 Dec 2026 | Viewed by 447 | Submission Open

Keywords: oral microbiome; periodontics; tissue regeneration; bioinformatics; biomarkers; host–microbiome interactions; molecular dynamics

(This special issue belongs to the Section Molecular Microbiology)

Research into Biomarkers for Psychiatric Disorders

edited by

João Victor Silva Nani

submission deadline 31 Dec 2026 | Viewed by 436 | Submission Open

Keywords: psychiatric disorders; molecular biomarkers; single-cell transcriptomics; neuroimmune interface; peripheral blood mononuclear cells (PBMCs); precision psychiatry; multi-omics integration; extracellular vesicles; liquid biopsy; neurogenomics

(This special issue belongs to the Section Molecular Neurobiology)

Recent Advances in Optoelectronic Materials

edited by Muhammad Umair Shahid

submission deadline 31 Dec 2026 | Viewed by 434 | Submission Open

Keywords: organic solar cells; DSSCs; perovskite solar cells; donor–acceptor systems; optoelectronic devices; charge separation; sensors; quantum dots; 2D materials; machine learning in materials science

(This special issue belongs to the Section Materials Science)

Serum Amyloid A: Established Roles and Emerging Questions in Health and Disease

edited by Preetha Shridas

submission deadline 31 Dec 2026 | Viewed by 431 | Submission Open

Keywords: Serum Amyloid A; high-density lipoprotein; acute inflammation; chronic inflammatory

(This special issue belongs to the Section Biochemistry)

Mechanisms Linking Gut Microbiota to Metabolic Diseases

edited by Jing Ji,

Hongyuhang Ni

and Aman Khan

submission deadline 31 Dec 2026 | Viewed by 427 | Submission Open

Keywords: gut microbiota; metabolic diseases; probiotics; prebiotics; obesity; microbial metabolites; host–microbe interaction; metabolic inflammation; intestinal barrier; hyperuricemia; diabetes; non-alcoholic fatty liver disease

(This special issue belongs to the Section Molecular Microbiology)

Neutrophils in Human and Animal Reproduction: Functions, Disorders, and Therapeutic Potential

edited by

Fabiola Zambrano

submission deadline 31 Dec 2026 | 1 articles | Viewed by 420 | Submission Open

Keywords: neutrophils; reproductive immunology; NETosis; extracellular traps; fertility; reproductive disorders; endometritis; male infertility; reproductive tract infections; oxidative stress

(This special issue belongs to the Section Molecular Immunology)

Pharmacological Advances of Epilepsy

edited by

Noemí Cárdenas-Rodríguez

Cindy Bandala

and Iván Ignacio-Mejía

submission deadline 31 Dec 2026 | 1 articles | Viewed by 415 | Submission Open

Keywords: epilepsy; antiseizure medications; pharmacology; epileptogenesis; drug resistance epilepsy; neuroinflammation; pharmacogenomics; oxidative stress; molecular targets; precision medicine

(This special issue belongs to the Section Molecular Neurobiology)

Natural Products: Molecular Mechanisms and Bioactivities

edited by

Pınar Kadiroğlu Kelebek

submission deadline 31 Dec 2026 | 1 articles | Viewed by 396 | Submission Open

Keywords: natural products; bioactive compounds; molecular mechanisms; anti-inflammatory activity; immune response; antimicrobial activity; fermentation; lactic acid bacteria; functional foods; nutraceuticals

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

Advances in Protein Dynamics, Binding and Allostery

edited by Huawei Zhang

submission deadline 31 Dec 2026 | Viewed by 394 | Submission Open

Keywords: protein dynamics; protein interaction; allostery; conformational regulation; drug design

(This special issue belongs to the Section Molecular Biology)

Immunotherapies of Solid Tumors

edited by

Steven Fiering

submission deadline 31 Dec 2026 | Viewed by 387 | Submission Open

Keywords: immune; solid tumors; anti-tumor; molecular pathways; immunotherapy; tumor microenvironment; checkpoint; CAR T cell; adoptive cell

(This special issue belongs to the Section Molecular Immunology)

New Perspectives in Molecular Plant Pathology

edited by

Göksel Özer

and

Rachid Lahlali

submission deadline 31 Dec 2026 | Viewed by 386 | Submission Open

Keywords: molecular plant pathology; real-time PCR; gene expression; molecular markers; marker-assisted selection; genetic diversity; pathogen diagnostics; transcriptomics; genome editing; bioinformatics

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

Molecular Advances on Sickle Cell Disease

edited by

Panicos Shangaris

submission deadline 31 Dec 2026 | Viewed by 385 | Submission Open

Keywords: sickle cell disease; hemoglobinopathy; vaso-occlusion; fetal hemoglobin induction; genome editing

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

Research Advances in Food Packaging Materials

edited by Marília Miotto and

Larissa Nardini Carli

submission deadline 31 Dec 2026 | Viewed by 383 | Submission Open

Keywords: active food packaging; intelligent packaging; smart packaging; biodegradable polymers; bio-based materials; food safety; antimicrobial packaging; antioxidant packaging; sustainable packaging; shelf-life extension

(This special issue belongs to the Section Materials Science)

Molecular Mechanisms of Plant–Soil–Water Interactions in Agricultural Systems

edited by

Hassan Iqbal

submission deadline 31 Dec 2026 | 1 articles | Viewed by 380 | Submission Open

Keywords: plant–soil–water interactions; agricultural systems; drought stress; salinity stress; waterlogging; aquaporins; root architecture; rhizosphere; molecular signaling; multi-omics

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

The Role of Multi-Omics in Fruit Quality Development and Sustainability

edited by

Kaibing Zhou

submission deadline 31 Dec 2026 | 1 articles | Viewed by 376 | Submission Open

Keywords: transcriptome; proteome; metabolome; fruit appearance quality; fruit nutrient and taste quality; post-harvest storage; biotic and abiotic stress; identification and evaluation of fruit germplasm; horticultural technique of artificial intelligence

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

Unraveling Affective Disorders: From Pathogenesis to Drug Therapy

edited by Lawrence Shih-Hsin Wu

submission deadline 31 Dec 2026 | Viewed by 375 | Submission Open

Keywords: affective disorders; depressive disorder; bipolar disorder; neuroinflammation; neurotransmitter dysregulation; gene–environment interactions; therapeutic targets

(This special issue belongs to the Section Molecular Neurobiology)

Applications of Machine Learning and Chemoinformatics in Molecular Prediction and Drug Discovery

edited by Saurav Mallik

submission deadline 31 Dec 2026 | Viewed by 371 | Submission Open

Keywords: drug discovery; epigenetics; immunology; cancer biology; aging; graph mining; neural network; structural biology

(This special issue belongs to the Section Molecular Informatics)

Bioactive Compounds from Food in Health and Diseases

edited by

Vanja M. Todorović

and

Nevena Dabetic

submission deadline 31 Dec 2026 | 1 articles | Viewed by 361 | Submission Open

Keywords: biological activity; antioxidants; nutraceuticals; polyphenols; redox balance; functional ingredients; dietary inflammation

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

The Role of SARS-CoV-2 in Immunomodulation—Post-Pandemic Reflection on the Role of Viruses in Human Immunology: 2nd Edition

edited by

Katarzyna A. Lisowska

submission deadline 31 Dec 2026 | Viewed by 340 | Submission Open

Keywords: SARS-CoV-2; COVID-19; immunomodulation; T cells; B cells; dendritic cells; monocytes; cytokines

(This special issue belongs to the Section Molecular Immunology)

Genetic and Metabolic Liver Disorders: Advances in Diagnosis, Disease Mechanisms and Treatment

edited by

Francesco Callea

and

Emanuele Agolini

submission deadline 31 Dec 2026 | Viewed by 340 | Submission Open

Keywords: genetic liver disease; metabolic disorders; disease mechanisms; genotype–phenotype correlation; compound heterozygosity; pathogenetic mutations; VUS mutations

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

Neuroinflammation: Molecular Targets and Therapeutic Advances

edited by

Tamás Körtési

submission deadline 31 Dec 2026 | 1 articles | Viewed by 332 | Submission Open

Keywords: neuroinflammation; neuroimmune signaling; migraine; neuropeptides; glutamatergic system; kynurenine pathway; microglia; astrocytes; neurodegeneration; therapeutic targets

(This special issue belongs to the Section Molecular Neurobiology)

Functional Activities of Natural Products

edited by

Loh Yean Chun

submission deadline 31 Dec 2026 | Viewed by 306 | Submission Open

Keywords: phytochemicals; biological products; pharmacological actions; plant extracts; structural-activity; functional foods; well-being

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

Idiosyncratic Drug Induced Liver Injury

edited by

Rolf Teschke

submission deadline 31 Dec 2026 | Viewed by 300 | Submission Open

Keywords: updated RUCAM; iDILI; immune iDILI; autoimmune iDILI; classic idiosyncratic DILI (iDILI); drug-induced autoimmune hepatitis (DIAIH); idiosyncratic drug-induced anti-CYP autoimmune hepatitis; HLA-based immune iDILI; immune iDILI with SJS/TEN; immune iDILI by ICIs

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

Trends and Prospects in Biomaterials

edited by Gabriela Graziani and

Daniele Ghezzi

submission deadline 31 Dec 2026 | Viewed by 287 | Submission Open

Keywords: biomaterials; orthopaedics; wound healing; additive manufacturing; infection; tissue modelling; tissue regeneration; orthopaedics; wound healing; antibacterial materials; regenerative medicine; reparative medicine

(This special issue belongs to the Section Materials Science)

Molecular Structure and Functional Dynamics of Bacterial Toxins in Pathogenesis and Biomedical Innovation

edited by

Chanan Angsuthanasombat

and Aijaz Malik

submission deadline 31 Dec 2026 | Viewed by 271 | Submission Open

Keywords: bacterial toxins; structural biology; host–pathogen interactions; toxin mechanisms; protein engineering; immunotoxins; synthetic biology; antimicrobial strategies; drug delivery; translational research

(This special issue belongs to the Section Molecular Microbiology)

Displaying special issue 1751-1800 on page 36 of 63.

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