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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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From Biomolecules to Therapies: Bridging the Gap with Molecular Mechanisms, Computational Design, and Drug Delivery

edited by

Jesús Vicente de Julián-Ortiz

Francisco Torrens

and

Gloria Castellano

submission deadline 20 Nov 2025 | 3 articles | Viewed by 7874 | Submission Open

Keywords: biomolecules; molecular mechanisms; computational studies; drug delivery; xenobiotics

(This special issue belongs to the Section Molecular Informatics)

The Molecular Basis of Plant–Microbe Interactions

edited by

Stephan Pollmann

Luis Morales-Quintana

and

Patricio Ramos

submission deadline 20 Nov 2025 | 3 articles | Viewed by 7746 | Submission Open

Keywords: plant immune and defense responses; microbe and microbiome function; microbial biodiversity; abiotic and biotic stress mitigation; gene regulatory mechanisms; plant hormones in plant– microbe interactions; molecular mechanisms of plant growth and microbe interactions; chemical communication in plant– microbe interactions; microbe effects on fruit quality; OMICs approaches (metagenomics; metatranscriptomics; epigenomics; transcriptomics; metabolomics); bioinformatics

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

Advanced Perspectives on Virus–Host Interactions

edited by

Qibin Geng

submission deadline 20 Nov 2025 | 6 articles | Viewed by 7531 | Submission Open

Keywords: viral manipulation of host metabolics; virus– host interactions; host– pathogen co-evolution; susceptibility and resistance to viral infection; novel antiviral strategies

(This special issue belongs to the Section Molecular Microbiology)

Antioxidant and Antibacterial Properties of Phytochemicals

edited by

Dalia Urbonaviciene

and Vytaute Starkute

submission deadline 20 Nov 2025 | 4 articles | Viewed by 7521 | Submission Open

Keywords: phytochemicals; natural preservatives; antioxidants; antibacterial properties; food; cosmetics; pharmaceuticals; animal feed

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

Synthesis of Advanced Polymer Materials, 3rd Edition

edited by

Haiyang Gao

submission deadline 20 Nov 2025 | 4 articles | Viewed by 7511 | Submission Open

Keywords: polymer synthesis; polymer chemistry; coordination polymerization; organometallic catalysts; polyolefin; degradable polymer materials; green and sustainable polymeric materials; homogeneous polymerization; heterogeneous polymerization

(This special issue belongs to the Section Macromolecules)

Advancements in Alzheimer’s Disease Treatment: Exploring Novel Approaches and Strategies

edited by

Sunmin Park

submission deadline 20 Nov 2025 | 4 articles | Viewed by 7473 | Submission Open

Keywords: Alzheimer’ s disease; bioinformatics; novel compounds; in vitro; in vivo; clinical study; Alzheimer’ s disease models

(This special issue belongs to the Section Molecular Neurobiology)

The Application of Machine Learning to Molecular Dynamics Simulations

edited by

Isabella Romeo

submission deadline 20 Nov 2025 | 4 articles | Viewed by 7420 | Submission Open

Keywords: molecular dynamics simulations; machine learning; AI in drug discovery; pharmacokinetics prediction; protein folding simulations; toxicity prediction using ML; free energy calculations; virtual screening; protein– ligand interactions; protein– protein interactions

(This special issue belongs to the Section Molecular Informatics)

Editorial Board Members’ Collection Series: “Molecular Dynamics”

edited by

Paulino Gómez-Puertas

and

James K. Bashkin

submission deadline 20 Nov 2025 | 3 articles | Viewed by 7316 | Submission Open

Keywords: quantum mechanics; classical mechanics; hybrid QM/MM; molecular dynamics at the atomic level; steered molecular dynamics; coarse-graining; docking(protein– protein; protein– ligand); the molecular dynamics of protein– ligand interactions; drug design; virtual screening

(This special issue belongs to the Section Molecular Biophysics)

Molecular Research in Cardiovascular Disease, 3rd Edition

edited by

Maria Dorobantu

and

Alexandru Scafa-Udriste

submission deadline 20 Nov 2025 | 6 articles | Viewed by 7298 | Submission Open

Keywords: atherosclerosis; cardiovascular disease; endothelial cells; matrix metalloproteinases; biomarkers; miRNAs; epigenetics

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

Microbiota and Cancer: 4th Edition

edited by

Silvia Turroni

and

Riccardo Masetti

submission deadline 20 Nov 2025 | 2 articles | Viewed by 7281 | Submission Open

Keywords: gut microbiota; cancer; hematopoietic stem cell transplantation; human microbiome; immune system; colon cancer; carcinogenesis; nutrition; short-chain fatty acids; metagenomic; dysbiosis

(This special issue belongs to the Section Molecular Oncology)

Endometriosis and Infertility

edited by Ludwig Kiesel

submission deadline 20 Nov 2025 | 4 articles | Viewed by 7223 | Submission Open

Keywords: endometriosis; infertility; subfertility; physiological mechanisms; treatments

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

Molecular Research on the Drug Toxicity

edited by

Annagiulia Di Trana

submission deadline 20 Nov 2025 | 2 articles | Viewed by 7174 | Submission Open

Keywords: drug toxicity; new psychoactive substances; toxicology; drug metabolism; drug intoxication

(This special issue belongs to the Section Molecular Toxicology)

Molecular Mechanisms of Cognitive Dysfunction from COVID-19 Infection and Other Respiratory Viruses

edited by

Abdullah Mosabbir

submission deadline 20 Nov 2025 | 1 articles | Viewed by 7155 | Submission Open

Keywords: long COVID; post-COVID; cognitive dysfunction; virus; cognition; brain; viral infection; virol-ogy; RNA

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

Progress in New Agents to Treat Breast Cancer

edited by Eileen Brantley

submission deadline 20 Nov 2025 | 4 articles | Viewed by 7105 | Submission Open

Keywords: breast cancer; chemotherapeutic agents; DNA-alkylating drugs; anthracyclines; antimetabolites; taxanes

(This special issue belongs to the Section Molecular Oncology)

Advances in Molecular Pathophysiology of Diabetes, Hypertension and Cardiovascular Diseases

edited by Alessandro Durante

submission deadline 20 Nov 2025 | 1 articles | Viewed by 6975 | Submission Open

Keywords: diabetes; hypertension; cardiology; cardiovascular diseases; coronary artery diseases; athero-sclerosis

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

The Role of Autophagy in Disease and Cancer

edited by

Antonio Ieni

and

Giovanni Tuccari

submission deadline 20 Nov 2025 | 3 articles | Viewed by 6891 | Submission Open

Keywords: autophagy; autophagy-related proteins; target therapy; cancer; neurodegenerative disease; infections; aging; metabolic disease; autoimmunity

(This special issue belongs to the Section Molecular Biology)

Research Progress on the Mechanism and Treatment of Cardiomyopathy: Second Edition

edited by

Michael T. Chin

submission deadline 20 Nov 2025 | 3 articles | Viewed by 6807 | Submission Open

Keywords: cardiomyopathy; heart failure; cardiac hypertrophy; dilated cardiomyopathy; restrictive cardiomyopathy; hypertrophic cardiomyopathy; ischemic cardiomyopathy; viral cardiomyopathy; inherited cardiomyopathy

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

Advances in Organic Synthesis in Drug Discovery

edited by

Laura Gabriela Sârbu

submission deadline 20 Nov 2025 | 3 articles | Viewed by 6768 | Submission Open

Keywords: organic synthesis; drug design; heterocyclic chemistry; functionalization

(This special issue belongs to the Section Molecular Pharmacology)

Molecular Insights into Bioactive Compounds from Agro-Industrial Waste Biomass

edited by

Ana Lima

and

Elisabete Maria de Castro Lima

submission deadline 20 Nov 2025 | 2 articles | Viewed by 6755 | Submission Open

Keywords: by-product; biocompound; bioactivity; component analysis; in vitro/in vivo experiments; circular economy; sustainability; biomass residues valorization

(This special issue belongs to the Section Biochemistry)

Basic Mechanisms of Physiological and Pathological Autoimmunity and Their Role in the Development of Autoimmune Diseases

edited by

Péter Németh

submission deadline 20 Nov 2025 | 3 articles | Viewed by 6674 | Submission Open

Keywords: physiologic autoimmunity; autoimmune diseases; natural immune system; pathologic autoimmunity

(This special issue belongs to the Section Molecular Immunology)

The Role of miRNA in Human Diseases

edited by

Seungil Ro

and Seeun Ha

submission deadline 20 Nov 2025 | 3 articles | Viewed by 6530 | Submission Open

Keywords: miRNA; diabetes; obesity; fatty liver disease; gastrointestinal disease

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

Genome Structure, Function and Dynamic Regulation of Cell Fate

edited by Georg Hildenbrand and

Michael Hausmann

submission deadline 20 Nov 2025 | 1 articles | Viewed by 6382 | Submission Open

Keywords: genome structure and organization; DNA sequence patterning and functional genomics; epigenetic regulation and chromatin remodeling; DNA damage response and cellular developments; cellular differentiation and cell fate; transcriptional control; chromatin architecture

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

Hematological Malignancies: Molecular Mechanisms and Therapy, 2nd Edition

edited by

Stella Bouziana

submission deadline 20 Nov 2025 | 5 articles | Viewed by 6360 | Submission Open

Keywords: hematological malignancies; molecular pathways; genetics; immunopathogenesis; biomarkers; novel therapies

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

Therapeutic Potential of Natural Compounds: Insights into Mechanisms, Molecular Docking, and Biological Activities, 2nd Edition

edited by

Rafał Hałasa

and

Katarzyna Turecka

submission deadline 20 Nov 2025 | 6 articles | Viewed by 6320 | Submission Open

Keywords: natural compounds; synthetic derivatives of natural compounds; biological activity; mechanism of action; molecular docking; therapeutic potential; anticancer; antimicrobial; antiviral; anti-civilization diseases; antiobesity; antidiabetes; preventing the development of cardiovascular diseases; including myocardial infarction; hypertension and ischemic heart disease; food hypersensitivity; antiallergy

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

Molecular Aspects of Hematological Malignancies and Benign Hematological Disorders—3rd Edition

edited by

Amelia Maria Găman

submission deadline 20 Nov 2025 | 4 articles | Viewed by 6297 | Submission Open

Keywords: myeloproliferative neoplasms; leukemia; lymphoma; multiple myeloma; oxidative stress; inflammation; microbiome; genetics; molecular biology

(This special issue belongs to the Section Molecular Biology)

Anticancer, Antioxidant, and Anti-Inflammatory Properties of Natural Products

edited by

Rita Carneiro Alves

, Nelson Andrade and Cláudia Silva

submission deadline 20 Nov 2025 | 3 articles | Viewed by 6147 | Submission Open

Keywords: bioactive compounds; natural extracts; health promotion/disease prevention; oxidative stress modulation; inflammatory pathway regulation; anticancer and antitumoral effects; cellular mechanisms; in vitro and in vivo bioactivity studies

(This special issue belongs to the Section Molecular Pharmacology)

New Challenges and Opportunities: Extracellular Vesicles in Biological and Biochemical Processes, 2nd Edition

edited by

Ilaria Giusti

and

Celeste Caruso Bavisotto

submission deadline 20 Nov 2025 | 2 articles | Viewed by 6125 | Submission Open

Keywords: extracellular vesicles; exosomes intercellular; crosstalk liquid biopsy carcinogenesis; cell differentiation tissue; homeostasis; organ remodeling; biomedicine; advanced diagnostics

(This special issue belongs to the Section Molecular Immunology)

New Insights in Plant Cell Biology

edited by

Jacek Z. Kubiak

and

Malgorzata Kloc

submission deadline 20 Nov 2025 | 4 articles | Viewed by 6115 | Submission Open

Keywords: chloroplasts; cell wall; vacuoles; microtubule cytoskeleton; plant-cell-specific structures

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

Hypertension: Mechanisms of Oxidative Stress and Antioxidant Regulation

edited by Rossana Scuri

submission deadline 20 Nov 2025 | 3 articles | Viewed by 6064 | Submission Open

Keywords: arteriolar networks organization; blood flow supply; cardiovascular disease; endothelial dysfunction; eNOS regulatory activity; oxidative stress; polyphenols

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

Molecular Perspectives in Lung Diseases: Pathogenesis, Diagnosis, and Treatment

edited by

Elena Levantini

submission deadline 20 Nov 2025 | 5 articles | Viewed by 6040 | Submission Open

Keywords: lung cancer models; cancer stem cells; tumor microenvironment; targeted therapy

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

Natural Products and Synthetic Derivatives in Cancer and Inflammatory Diseases

edited by

Nelson G.M. Gomes

submission deadline 20 Nov 2025 | 2 articles | Viewed by 6031 | Submission Open

Keywords: angiogenesis inhibition; caspase activation; cytokine modulation; drug discovery; ethnopharmacology; plant metabolites; marine natural products; molecular docking; oxidative stress; tumor microenvironment

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

Advanced Catalytic Materials (Second Edition)

edited by

Julio Macedo

submission deadline 20 Nov 2025 | 3 articles | Viewed by 5921 | Submission Open

Keywords: synthetic routes; nanomaterials; catalysis; sustainability; biomass; biofuel; photocatalysis; fine chemistry

(This special issue belongs to the Section Materials Science)

Oral Cancer: Update on Molecular Pathology, Mechanisms and Treatments

edited by

Norio Sogawa

submission deadline 20 Nov 2025 | 3 articles | Viewed by 5850 | Submission Open

Keywords: oral cancer; mechanisms of incidence and development of oral cancer; metastasis; diagnosis; biomarkers; treatments (active ingredients; medicines; biomedicines; and gene therapy)

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

Genetic and Epigenetic Analyses in Cancer

edited by Jing Gong

submission deadline 20 Nov 2025 | 4 articles | Viewed by 5779 | Submission Open

Keywords: epigenetics; genetic mutations; chromosomal instability; DNA methylation; histone modifications; non-coding rnas; multi-omics; transcriptomics; proteomics; drug resistance in cancer; cancer biomarkers; therapeutic targets in cancer

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

Cutting-Edge Technologies in Molecular Detection: From Nanosensors to AI-Driven Analysis

edited by

Long Wu

submission deadline 20 Nov 2025 | 3 articles | Viewed by 5607 | Submission Open

Keywords: molecular detection; analytical techniques; nanosensors; food science; DNA analysis

(This special issue belongs to the Section Biochemistry)

Pharmacology and Toxicology of Synthetic and Natural Products

edited by

Sherif T.S. Hassan

submission deadline 20 Nov 2025 | 3 articles | Viewed by 5537 | Submission Open

Keywords: pharmacology and toxicology; pharmacodynamics and pharmacokinetics; synthetic drugs; natural products; drug interactions; molecular mechanisms; therapeutic potential; adverse effects; dose– response relationship; drug safety and efficacy

(This special issue belongs to the Section Molecular Pharmacology)

Lignocellulose Bioconversion and High-Value Utilization

edited by

Jian Zhao

submission deadline 20 Nov 2025 | 5 articles | Viewed by 5528 | Submission Open

Keywords: lignocellulosic biomass; including seed husks from grains; enzymes; microorganisms producing enzymes; chemical catalysts; biomass conversion; biofuels; bioproducts; fermentable sugars; biomass-based functional materials; lignocellulose nanoparticles

(This special issue belongs to the Section Macromolecules)

Omics Science in the Field of Autoimmune Diseases

edited by

Cristina Piras

and

Federica Murgia

submission deadline 20 Nov 2025 | 2 articles | Viewed by 5491 | Submission Open

Keywords: metabolomics; proteomics; genomics; transcriptomics; biomarkers; autoimmune diseases; inflammatory diseases; nuclear magnetic resonance spectroscopy; mass spectrometry; precision medicine

(This special issue belongs to the Section Molecular Immunology)

ABC Transporters: Where Are We 45 Years On? (2nd Edition)

edited by

Anthony M George

submission deadline 20 Nov 2025 | 3 articles | Viewed by 5475 | Submission Open

Keywords: nucleotide-binding cassette; transmembrane binding domain; drug resistance; X-ray and cryo-EM structures; molecular dynamics simulations; ABC transporter

(This special issue belongs to the Section Biochemistry)

New Therapeutic Targets for Neuroinflammation and Neurodegeneration

edited by Muhammad Sohail Khan and

Cassie S. Mitchell

submission deadline 20 Nov 2025 | 3 articles | Viewed by 5467 | Submission Open

Keywords: neurodegenerative diseases; inflammatory response; nervous system; neuroinflammations

(This special issue belongs to the Section Molecular Neurobiology)

Recent Developments in Omics Technologies Applied to Oncology Research

edited by

Simona D’Aguanno

submission deadline 20 Nov 2025 | 3 articles | Viewed by 5439 | Submission Open

Keywords: single‑cell genome sequencing; single‑cell epigenome sequencing; single‑cell CRISPR sequencing; imaging mass cytometry; RNAscope; digital spatial profiling; multiplex IHC; multiplex IF; omics technologies

(This special issue belongs to the Section Molecular Oncology)

Plant Response to Drought, Heat, and Light Stress

edited by Mengzhu Lu and Shijiang Cao

submission deadline 20 Nov 2025 | 5 articles | Viewed by 5436 | Submission Open

Keywords: plant stress response; molecular biology techniques; bioinformatics; genetic mechanisms; climate change

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

Molecular Studies of Monogenic Diseases: Diagnostics, Mechanisms and Therapeutics

edited by

Ivano Condò

submission deadline 20 Nov 2025 | 2 articles | Viewed by 5261 | Submission Open

Keywords: cell death pathways; DNA sequencing; drug discovery; gene expression; gene mutation; genetic diagnosis; molecular signaling; molecular therapy; monogenic disease

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

Molecular Biology of Soybean

edited by Zhengjun Xia

submission deadline 20 Nov 2025 | 6 articles | Viewed by 5103 | Submission Open

Keywords: soybean; growth and development; disease resistance; nodulation; nolecular mechanism; plant interaction

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

Advances in Micro- and Nanomaterials for Biomedical Applications

edited by

Silvana Alfei

submission deadline 20 Nov 2025 | 2 articles | Viewed by 5100 | Submission Open

Keywords: biomaterials; medical applications; natural and synthetic polymers; tissue engineering; hydrogels; bone cement; drug delivery systems; dendrimers; micro- and nanocomposites; nanotechnology; bioceramics; biopharmaceutics; biosensing

(This special issue belongs to the Section Molecular Nanoscience)

Unraveling Apoptosis: Deciphering Molecular Mechanisms

edited by

Gabriella Simbula

submission deadline 20 Nov 2025 | 2 articles | Viewed by 5058 | Submission Open

Keywords: apoptosis; development; microenvironment; mitochondria dysfunction; molecular mechanisms; tumors; degenerative diseases; diabetes; metabolic diseases; neurodegenerative disease; novel pharmacological strategies

(This special issue belongs to the Section Biochemistry)

Deciphering Molecular Complexity of Pancreatic Cancer

edited by

Dimitrios H. Roukos

submission deadline 20 Nov 2025 | 3 articles | Viewed by 5037 | Submission Open

Keywords: pancreatic cancer; intratumor heterogeneity; bulk and single-cell multiomics; tumor microenvironment; cancer immunotherapy; targeted therapy

(This special issue belongs to the Section Molecular Oncology)

FTIR Miscrospectroscopy: Opportunities and Challenges

edited by Simona Sabbatini

submission deadline 20 Nov 2025 | 2 articles | Viewed by 4977 | Submission Open

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

Natural Products and Synthetic Compounds for Drug Development: 3rd Edition

edited by

Guan-Jhong Huang

submission deadline 20 Nov 2025 | 4 articles | Viewed by 4926 | Submission Open

Keywords: reactive oxygen; anti-inflammation; cancer; infectious diseases; liver diseases; lung disease; kidney disease; cardiac disease; neuro disease

(This special issue belongs to the Section Molecular Pharmacology)

Molecular Diagnosis and Latest Treatment for Gastric Cancer

edited by

Petra Hudler

submission deadline 20 Nov 2025 | 2 articles | Viewed by 4904 | Submission Open

Keywords: gastric cancer; biomarkers; genetics; epigenetics; immunotherapy; molecular diagnostics; personalized medicine; predisposition; risk factors

(This special issue belongs to the Section Molecular Oncology)

Displaying special issue 51-100 on page 2 of 67.

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