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Molecules 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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Protein Kinase: Structure, Function and Inhibitors
edited by
submission deadline 31 Dec 2026 | Viewed by 202 | Submission Open
Keywords: protein kinase; protein phosphorylation; ATP-binding site; allosteric regulation; structure–function relationship; conformational change; cellular signaling pathways; drug discovery; ATP-competitive inhibitors; allosteric inhibitors
(This special issue belongs to the Section Chemical Biology)
Naphthalene-Based Molecules: Design, Synthesis, and Functional Applications
edited by
submission deadline 31 Dec 2026 | Viewed by 202 | Submission Open
Keywords: naphthalene; design and synthesis; transformations; functional materials; drug discovery
(This special issue belongs to the Section Organic Chemistry)
Chemistry of Grapes and Wine: Analysis Methods, Applications and Challenges
edited by Ignacio Ontañón and Ignacio Arias-Pérez
submission deadline 31 Dec 2026 | Viewed by 198 | Submission Open
Keywords: wine chemistry; grape composition; wine aroma; gas chromatography–mass spectrometry (GC-MS); liquid chromatography–mass spectrometry (LC-MS); spectroscopic techniques; phenolic compounds; metabolomics; chemometrics
(This special issue belongs to the Section Food Chemistry)
Natural Compounds with Anticancer Activity
edited by and Alejandro García-Carrancá
submission deadline 31 Dec 2026 | Viewed by 197 | Submission Open
Keywords: natural compounds; cytotoxicity; cancer; resistance; pharmacognosy; herbal medicine; anticancer drug; secondary metabolites; therapeutic agents
(This special issue belongs to the Section Natural Products Chemistry)
Synthesis of Functional Materials for Optoelectronics
edited by
submission deadline 31 Dec 2026 | Viewed by 197 | Submission Open
Keywords: optoelectronics; composite materials; nanomaterials; photocatalysis; sensing; synthesis; semiconductor; optical
(This special issue belongs to the Section Materials Chemistry)
Chemistry of Environmentally Friendly Corrosion Inhibitors Using Emerging Technologies submission deadline 31 Dec 2026 | Viewed by 195 | Submission Open
Keywords: green corrosion inhibitors; computational chemistry; sustainable synthesis; machine learning; adsorption mechanism
Featured Review Papers in Gel Biomaterials
edited by , Clara López-Iglesias and
submission deadline 31 Dec 2026 | Viewed by 194 | Submission Open
Keywords: hydrogels; aerogels; proteins; polysaccharides; drug delivery; functional food; regenerative medicine; 3D-bioprinting; biofabrication; personalized medicine
(This special issue belongs to the Section Materials Chemistry)
Examples and Challenges of Generative AI Use in Inorganic Chemistry Research
edited by Takashiro Akitsu
submission deadline 31 Dec 2026 | Viewed by 193 | Submission Open
Keywords: generative AI in inorganic chemistry; machine learning for inorganic materials; inorganic reaction prediction; AI‑driven coordination chemistry; computational inorganic chemistry; inorganic crystal structure prediction; inorganic synthesis optimization; AI for energy‑related inorganic materials; inorganic photocatalysts; AI‑based electronic structure analysis
(This special issue belongs to the Section Inorganic Chemistry)
Advances in Protein—Protein Interaction Studies for Therapeutics
edited by and Weijun Xu
submission deadline 31 Dec 2026 | Viewed by 191 | Submission Open
Keywords: protein–protein interactions; ternary complex; proximity inducers; small-molecule drugs; biophysics
(This special issue belongs to the Section Medicinal Chemistry)
Organic Chemistry in Europe submission deadline 31 Dec 2026 | Viewed by 188 | Submission Open
Keywords: organic synthesis; catalysis; asymmetric synthesis; organometallic chemistry; computational organic chemistry; heterocyclic chemistry; radical chemistry; cross-coupling reactions; C-H activation
(This special issue belongs to the Section Organic Chemistry)
Glycomics-Driven Molecular Discovery: Diagnostics, Therapeutics and Vaccines for Global Health
edited by , Arun Everest-Dass and
submission deadline 31 Dec 2026 | Viewed by 187 | Submission Open
Keywords: carbohydrate-based drug discovery; glycoscience; antiviral drugs; anti-infective therapeutics; influenza research; glycotherapeutics; drug-resistant bacteria; biomolecular drug design; cancer; cancer biomarker discovery; anti-cancer drug discovery
(This special issue belongs to the Section Bioorganic Chemistry)
Synthesis, Analysis and Applications of Cyclodextrins and Their Derivatives
edited by
submission deadline 31 Dec 2026 | Viewed by 185 | Submission Open
Keywords: cyclodextrins (natural and modified); host–guest inclusion complexes; synthesis of cyclodextrin derivatives; physicochemical measurements; theoretical calculations and molecular modeling; supramolecular chemistry; drug delivery systems; thermodynamics of inclusion processes
(This special issue belongs to the Section Macromolecular Chemistry)
Featured Reviews in Nanochemistry 2026
edited by and
submission deadline 31 Dec 2026 | Viewed by 183 | Submission Open
Keywords: review paper; nanomaterials; nanosynthesis; functional materials; characterization; applications; in situ techniques; operando characterization; modeling and simulation; artificial intelligence; optimization; chemistry
(This special issue belongs to the Section Nanochemistry)
Presence of Emerging and Persistent Contaminants in Environmental Matrices submission deadline 31 Dec 2026 | Viewed by 180 | Submission Open
Keywords: emerging contaminants; persistent organic pollutants (POPs); environmental matrices; environmental risk assessment (ERA)
(This special issue belongs to the Section Green Chemistry)
Design, Surface Engineering, and Applications of Functional Monolayers and Coatings in Chemistry
edited by
submission deadline 31 Dec 2026 | Viewed by 176 | Submission Open
Keywords: nanomaterials; thin layers; self-assembled monolayers; surface modification of nanomaterials; characterization of thin layers; nanometrology; nanomechanics; antimicrobial activity and wetting of surfaces
(This special issue belongs to the Section Materials Chemistry)
Extraction and Biological Evaluation of Active Substances in Food submission deadline 31 Dec 2026 | Viewed by 174 | Submission Open
Keywords: bioactive compounds; food-derived active substances; extraction techniques; green extraction; food chemistry; natural products; phytochemicals; antioxidant activity; biological activity; functional foods; nutraceuticals; metabolomic profiling; bioavailability; in vitro bioassays; food bioactives
(This special issue belongs to the Section Food Chemistry)
Advanced Photocatalytic Materials for Environmental Applications: Synthesis, Characterization, Experimental and Computational Approaches
edited by
submission deadline 31 Dec 2026 | Viewed by 173 | Submission Open
Keywords: solar photocatalysis; biomass valorisation; green H2 production; CO2 reduction; valuable chemicals and fuels production; semiconductors; upconversion; doping; nanocomposites; physico-chemical properties; sustainable materials; computational approaches
(This special issue belongs to the Section Photochemistry)
Advanced Oxidation Processes for Organic Wastewater Treatment: Recent Advances and Future Prospects submission deadline 31 Dec 2026 | Viewed by 173 | Submission Open
Keywords: advanced oxidation processes; chemical oxidation; reactive oxygen species; organic pollutant degradation; oxidation mechanisms; water chemistry
(This special issue belongs to the Section Green Chemistry)
Environmentally Friendly Biobased Flame Retardants for Polymeric Materials
edited by Yao Yuan and
submission deadline 31 Dec 2026 | Viewed by 172 | Submission Open
Keywords: biobased flame retardants; polymeric materials; sustainable materials; fire safety; green chemistry; biobased coatings; smoke suppression; char formation; multifunctional materials; polymer composites
(This special issue belongs to the Section Materials Chemistry)
Exclusive Contributions by the Editorial Board Members (EBMs) of the Organic Chemistry Section of Molecules, 2nd Edition
edited by
submission deadline 31 Dec 2026 | Viewed by 168 | Submission Open
Keywords: organic compounds; organic synthesis; organic reaction; click chemistry; organocatalysis
(This special issue belongs to the Section Organic Chemistry)
Advanced Extraction and Chromatographic Methodologies for the Analysis of Plant Secondary Metabolites and Contaminants in Crops: Innovative Analytical Strategies submission deadline 31 Dec 2026 | Viewed by 163 | Submission Open
Keywords: sample preparation; green extraction technologies; advanced analytical techniques; high-resolution mass spectrometry (HRMS); plant secondary metabolites; contaminants; chemometrics
(This special issue belongs to the Section Analytical Chemistry)
Recent Developments in the Valorization of Agro-Food By-Products and Waste
edited by
submission deadline 31 Dec 2026 | Viewed by 158 | Submission Open
Keywords: agro-food waste; sustainable extraction; bioactive compound; circular economy; biotechnological conversion; sustainable food systems
(This special issue belongs to the Section Green Chemistry)
Recent Advances in Asymmetric Synthesis: From Reagents to Reactions
edited by
submission deadline 31 Dec 2026 | Viewed by 157 | Submission Open
Keywords: asymmetric synthesis; enantioselective catalysis; chiral reagents; asymmetric catalysis; stereoselective reactions; catalyst design; sustainable synthesis; organic synthesis
(This special issue belongs to the Section Organic Chemistry)
Sustainable Organic Synthesis: Mechanistic Insights and Reaction Design submission deadline 31 Dec 2026 | Viewed by 154 | Submission Open
Keywords: green chemistry; sustainable synthesis; reaction mechanism; catalysis; mechanochemistry; microwave-assisted synthesis; photochemistry; electrochemistry; biomass valorization; solvent-free reactions; phase-transfer catalysis; computational chemistry; reaction engineering; process intensification
(This special issue belongs to the Section Green Chemistry)
Chemical Analysis of Bioactive Compounds in Plants
edited by
submission deadline 31 Dec 2026 | Viewed by 153 | Submission Open
Keywords: plant bioactive compounds; natural product analysis; phytochemical profiling; plant metabolomics
(This special issue belongs to the Section Natural Products Chemistry)
Advances of Heterocycles in Medicinal Chemistry submission deadline 31 Dec 2026 | Viewed by 153 | Submission Open
Keywords: medicinal chemistry; heterocycles; azines; azoles; anticancer agents; anti-tuberculosis; antimicrobial
(This special issue belongs to the Section Medicinal Chemistry)
Theoretical Research on Bonding Analysis and Weak Interactions
edited by , and Tosaporn Sattasathuchana
submission deadline 31 Dec 2026 | Viewed by 148 | Submission Open
Keywords: energy decomposition analysis; intermolecular interactions; first principles; many-body effects; fragmentation
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Targeted Protein Degradation: Emerging Modalities, Mechanisms, and Therapeutic Opportunities
edited by
submission deadline 31 Dec 2026 | Viewed by 145 | Submission Open
Keywords: targeted protein degradation (TPD); proteolysis-targeting chimeras (PROTACs); molecular glues; covalent degraders; next-generation modalities; tissue-specific and stimuli-responsive TPD; AI-assisted and computationally guided TPD design; mechanistic studies; precision medicine
(This special issue belongs to the Section Medicinal Chemistry)
Sprouts and Microgreens as Functional Foods: Phytochemistry, Mechanisms of Action, and Biological Activity
edited by
submission deadline 31 Dec 2026 | Viewed by 144 | Submission Open
Keywords: sprouts; microgreens; phytochemicals; abiotic stress; LED light; bioactive compounds; antioxidant activity; in vitro studies; functional foods
(This special issue belongs to the Section Natural Products Chemistry)
Exclusive Feature Papers in Colorants 2026
edited by
submission deadline 31 Dec 2026 | Viewed by 142 | Submission Open
Keywords: colorants; dyes and pigments; sustainable chemistry; functional materials; photosensitive compounds; photodynamic inactivation; organic electronic materials; nanomaterials; sensors; energy applications; structure–property relationships
(This special issue belongs to the Section Colorants)
Chemiluminescence and Photoluminescence of Advanced Compounds, 2nd Edition submission deadline 31 Dec 2026 | Viewed by 141 | Submission Open
Keywords: chemiluminescence; photoluminescence; luminescent molecules; luminescent probes; luminescent indicators; bioimaging; immunoassay; sensing; luminescence mechanism
(This special issue belongs to the Section Photochemistry)
Exclusive Contributions by the Editorial Board Members (EBMs) of the Inorganic Chemistry Section of Molecules in 2026
edited by
submission deadline 31 Dec 2026 | Viewed by 141 | Submission Open
Keywords: inorganic chemistry; coordination chemistry; main-group chemistry; bioinorganic chemistry; solid-state chemistry; organometallic compounds; inorganic cluster chemistry; metal-based assemblies; inorganic anions; inorganic materials; theoretical inorganic chemistry
(This special issue belongs to the Section Inorganic Chemistry)
Current State and Future Perspectives of Polymer-Based Composite Electrolytes
edited by and Xuanbo Zhu
submission deadline 31 Dec 2026 | Viewed by 140 | Submission Open
Keywords: functional polymer; polymer-based composite electrolytes; ionic conductivity; ion transport mechanisms; structure–property relationships; AI-driven materials design; flexible and wearable electronics; solid-state batteries
(This special issue belongs to the Section Electrochemistry)
Advancements in Pharmaceutical Analysis Techniques
edited by and Maya Georgieva
submission deadline 31 Dec 2026 | Viewed by 140 | Submission Open
Keywords: biosimilars; quality control; design of experiments approach; analytical and functional similarity; analytical methods; ICH guidelines
(This special issue belongs to the Section Analytical Chemistry)
Food Chemistry and Bioactive Compounds in Relation to Health, 3rd Edition submission deadline 31 Dec 2026 | Viewed by 139 | Submission Open
Keywords: biologically active compounds; functional food ingredients; metabolic pathways; health benefits; foodborne pathogens; probiotics; chromatographic analysis; enzymes applied in the food industry
(This special issue belongs to the Section Food Chemistry)
Chemistry and Bioactivity of Essential Oils submission deadline 31 Dec 2026 | Viewed by 137 | Submission Open
Keywords: essential oil; biological activity; extraction methods; GC-MS analysis; formulation methods; structure–activity relationship; phytochemical profiling; quality control; mechanisms of action
(This special issue belongs to the Section Natural Products Chemistry)
Recent Advances in Synthesis and Catalysis of Heterocycles
edited by Yao Zhou and
submission deadline 31 Dec 2026 | Viewed by 137 | Submission Open
Keywords: organic synthesis; radical reaction; green synthesis; photocatalysis; electrocatalysis; transition-metal catalysis; heterocyclic synthesis; nitrogen-containing heterocycles; sulfur-containing heterocycles
(This special issue belongs to the Section Organic Chemistry)
Bioactive Compounds and Emerging Technologies in Food Processing and Functional Systems submission deadline 31 Dec 2026 | Viewed by 136 | Submission Open
Keywords: bioactive compounds; emerging non-thermal technologies; active food packaging; nanotechnology; food control; food technology
(This special issue belongs to the Section Food Chemistry)
Anticancer Natural Products: Synthetic Strategies and Biological Evaluation
edited by
submission deadline 31 Dec 2026 | Viewed by 136 | Submission Open
Keywords: anticancer natural products; total synthesis; semi-synthesis; structural modification; rational drug design; structure-activity relationship; biological evaluation; cytotoxicity; drug discovery
(This special issue belongs to the Section Natural Products Chemistry)
Medicinal Chemistry and Virology Together in the Service of Human Health: In Honor of Prof. Dr. Erik De Clercq on the Occasion of His 85th Birthday
edited by Libor Grubhoffer, and
submission deadline 31 Dec 2026 | Viewed by 130 | Submission Open
Keywords: antiviral agents; medicinal chemistry; virology; nucleoside/nucleotide analogs; HIV therapeutics; drug development
(This special issue belongs to the Section Medicinal Chemistry)
Enzyme Immobilization and Its Application
edited by Dilek Alagoz
submission deadline 31 Dec 2026 | Viewed by 130 | Submission Open
Keywords: immobilization; industrial enzymes; kinetics; proteins; food; enzyme stabilities; nanostructures
(This special issue belongs to the Section Bioorganic Chemistry)
Radiopharmaceuticals and the Applications in Cancer Theranostics
edited by Hugo Cerecetto, and
submission deadline 31 Dec 2026 | Viewed by 128 | Submission Open
Keywords: radiopharmaceutical; theranostic; cancer; personalized medicine; drug-like properties; artificial intelligence
(This special issue belongs to the Section Medicinal Chemistry)
Application of Nuclear Magnetic Resonance (NMR) Technology in Food Quality Control and Composition Analysis submission deadline 31 Dec 2026 | Viewed by 122 | Submission Open
Keywords: nuclear magnetic resonance (NMR) technology; food quality control; composition analysis; food safety; nutritional analysis
(This special issue belongs to the Section Analytical Chemistry)
Advanced Functional Materials for Photocatalysis, Green Catalysis and Electrochemical Energy Storage
edited by Qianqian Liu and Ruirui Wang
submission deadline 31 Dec 2026 | Viewed by 121 | Submission Open
Keywords: functional materials; photocatalysis; green catalysis; electrochemical energy storage
(This special issue belongs to the Section Materials Chemistry)
Intelligent and Biomimetic Nanocarriers for Precision Cancer Therapy
edited by Suping Li
submission deadline 31 Dec 2026 | Viewed by 121 | Submission Open
Keywords: intelligent drug delivery; biomimetic nanotechnologies; precision oncology
(This special issue belongs to the Section Medicinal Chemistry)
Computational Advances in Molecular Design of Electrolytes
edited by Chao Fang
submission deadline 31 Dec 2026 | Viewed by 120 | Submission Open
Keywords: electrolytes; ion transport; solvation structure; solid–electrolyte interphase; simulation; machine learning
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Antiviral Medicinal Chemistry Driven by Multidisciplinary Integration submission deadline 31 Dec 2026 | Viewed by 117 | Submission Open
Keywords: multidisciplinary integration; antiviral medicinal chemistry; drug design; target identification; artificial intelligence; structural biology; novel strategies and advanced technologies; drug resistance; broad spectrum antiviral agents
(This special issue belongs to the Section Medicinal Chemistry)
Application of Modern Analytical Techniques in Chinese Medicine
edited by
submission deadline 31 Dec 2026 | Viewed by 111 | Submission Open
Keywords: traditional Chinese medicine; advanced analytical techniques; two-dimensional chromatography; LC-MS metabolomics; bioactive natural products discovery; quality assessment
(This special issue belongs to the Section Analytical Chemistry)
Inorganic Catalysis in Environmental Systems: From Electron Transfer to Organic Matter Transformation
edited by
submission deadline 31 Dec 2026 | Viewed by 95 | Submission Open
Keywords: inorganic catalysis; nanozyme; inorganic enzyme; metal oxides; sulfide minerals; nanomaterials; minerals; environmental catalysis; biogeochemistry; biogeochemical cycling; carbon cycling; nitrogen cycling; phosphorus cycling; greenhouse gases; CO2 transformation; methane oxidation; nitrous oxide; denitrification; nitrification; redox processes; redox cycling; electron transfer; electron hopping; reactive oxygen species (ROS); Fenton reaction; Fenton-like activity; advanced oxidation processes; photocatalysis; photocatalyst; photoinduced electron transfer; solar-driven catalysis; surface catalysis; interfacial reactions; mineral–organic interactions; organic matter transformation; contaminant degradation; emerging contaminants; PFAS; pesticides; microplastics; soil; sediment; aquatic systems; water treatment; environmental remediation; prebiotic chemistry; origin of life; emergence of life; chemical evolution; protein evolution; enzyme evolution; metalloenzymes; iron–sulfur clusters
(This special issue belongs to the Section Green Chemistry)
Renewable Energy, Fuels and Chemicals from Biomass, 3rd Edition
edited by and
submission deadline 31 Dec 2026 | Viewed by 93 | Submission Open
Keywords: biomass conversion technologies; renewable energy; biofuel synthesis; catalytic biomass transformation; bioethanol; biodiesel; green/sustainable chemistry; biotechnological applications
(This special issue belongs to the Section Applied Chemistry)
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