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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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30th Anniversary of Molecules—Recent Advances in Medicinal Chemistry submission deadline 31 Dec 2026 | 2 articles | Viewed by 2382 | Submission Open
Keywords: medicinal chemistry; drug discovery and development; lead compounds; proximity-inducing drugs; photopharmacology; covalent modifiers; antibody-drug conjugates; epigenetic modulators
(This special issue belongs to the Section Medicinal Chemistry)
Secondary Metabolites from Natural Products: Extraction, Isolation and Biological Activities, 2nd Edition submission deadline 31 Dec 2026 | 3 articles | Viewed by 2350 | Submission Open
Keywords: natural products; secondary metabolites; analytical techniques application; extraction and separation; chemical composition; phytochemistry; isolation and structure elucidation; secondary metabolites; antimicrobial activity; antioxidant activity; anticancer activity
(This special issue belongs to the Section Natural Products Chemistry)
Organometallic Compounds: Design, Synthesis and Application: 2nd Edition
edited by
submission deadline 31 Dec 2026 | 2 articles | Viewed by 2321 | Submission Open
Keywords: organometallic compounds; design and synthesis; transition metal complexes; catalysis; metal coordination; catalytic applications; mechanisms; organic–inorganic hybrid compounds
(This special issue belongs to the Section Organometallic Chemistry)
Immunomodulatory and Anti-Inflammatory Activities of Natural Compounds with Adaptogenic Potential
edited by Daniel Załuski and
submission deadline 31 Dec 2026 | 2 articles | Viewed by 2282 | Submission Open
Keywords: adaptogens; immunomodulation; inflammation; phytochemicals; herbal medicine; cytokines; oxidative stress
(This special issue belongs to the Section Medicinal Chemistry)
Metal–Halide Perovskites for Solar Cell and LED Materials
edited by
submission deadline 31 Dec 2026 | 1 articles | Viewed by 2187 | Submission Open
Keywords: hybrid halide perovskite solar cell materials; perovskite light-emitting diode materials; optical properties; luminescence; material property characterization; thin solid films; crystal formation
(This special issue belongs to the Section Materials Chemistry)
Exploring Phytochemicals: Their Structure, Biological Activities and Health-Promoting Effects
edited by and Samireh Jorfi
submission deadline 31 Dec 2026 | 1 articles | Viewed by 2173 | Submission Open
Keywords: phytochemicals; medicinal/culinary plants; bioactive properties; health benefits
(This special issue belongs to the Section Natural Products Chemistry)
Bioactive Metabolites from Marine Invertebrates and Their Associated Microorganisms—in Celebration of Professors Longmei Zeng and Jingyu Su’s 95th Birthday
edited by , and Shihai Xu
submission deadline 31 Dec 2026 | 1 articles | Viewed by 2122 | Submission Open
Keywords: marine organisms; bioactive metabolites; marine invertebrates and their associated microorganisms
(This special issue belongs to the Section Natural Products Chemistry)
Foam and Emulsion Systems: Stability, Rheology, and Applications
edited by
submission deadline 31 Dec 2026 | 1 articles | Viewed by 2098 | Submission Open
Keywords: foams; emulsions; interfacial stability; rheology; soft matter; applications
Functional Molecules as Novel Cosmetic Ingredients, 2nd Edition
edited by Jing Wang and
submission deadline 31 Dec 2026 | 1 articles | Viewed by 2029 | Submission Open
Keywords: synthetic molecules; plant extracts; natural compounds; biotech-derived molecules; natural-derived molecules; fermentation-derived ingredients; biological activity; cosmetics; encapsulation and delivery technologies of ingredients; skin-care; hair-care
(This special issue belongs to the Section Applied Chemistry)
Featured Reviews in Chemical Biology 2026
edited by and
submission deadline 31 Dec 2026 | 2 articles | Viewed by 2026 | Submission Open
Keywords: chemical biology; chemical probes; phenotypic screening; target identification/validation; bioactive metabolites; signaling molecules; drug discovery; enzymology; synthetic biology
(This special issue belongs to the Section Chemical Biology)
Advances in Lactam Chemistry: From Synthetic Strategies to Biological Applications
edited by
submission deadline 31 Dec 2026 | 2 articles | Viewed by 1890 | Submission Open
Keywords: lactams; sustainable synthesis; structure–activity relationship (SAR); drug discovery; β-lactam analogues; heterocyclic chemistry; therapeutic applications; antimicrobial and anticancer agents
(This special issue belongs to the Section Organic Chemistry)
Recent Advances in Peptide Assembly and Bioactivity
edited by
submission deadline 31 Dec 2026 | 1 articles | Viewed by 1885 | Submission Open
Keywords: peptide; self-assembly; co-assembly; stimuli-responsive; bioactivity; biomaterials
(This special issue belongs to the Section Bioorganic Chemistry)
Functional Molecules Design for Nutrition Health
edited by and
submission deadline 31 Dec 2026 | 2 articles | Viewed by 1826 | Submission Open
Keywords: molecule design; biological activity; nutrition and health; personalized nutrition protocols; precision therapeutic methods
(This special issue belongs to the Section Materials Chemistry)
Progress in Green Analytical Methods for the Detection of Trace Substances in Complex Matrices submission deadline 31 Dec 2026 | 2 articles | Viewed by 1736 | Submission Open
Keywords: green analytical chemistry; greenness evaluation metrics; integrated analytical platforms; miniaturized sample preparation; green materials for sample pre-treatment; on-line and in-line sampling; automatization
(This special issue belongs to the Section Analytical Chemistry)
Deep Eutectic Solvents: Properties, Applications and Perspectives submission deadline 31 Dec 2026 | 2 articles | Viewed by 1603 | Submission Open
Keywords: green chemistry; deep eutectic systems; physico-chemical properties; thermodynamic modelling; application development; extraction; biocatalysis; CO2 capture; electrochemistry
(This special issue belongs to the Section Green Chemistry)
Synthesis and Characterization of Hybrid Biomaterials for Life Sciences submission deadline 31 Dec 2026 | 2 articles | Viewed by 1581 | Submission Open
Keywords: hybrid material; biomaterials; drug release; antimicrobial test; chemical characterization; natural polymers; bioactivity assessment; bioactivity
(This special issue belongs to the Section Materials Chemistry)
Exploring Physical Chemistry Processes in Chemical Engineering: From Analysis to Application submission deadline 31 Dec 2026 | 2 articles | Viewed by 1538 | Submission Open
Keywords: physical chemistry in chemical engineering; thermodynamics and phase behavior; reaction kinetics and catalysis; surface and interfacial phenomena; molecular interactions and transport; separation and adsorption processes; modeling and simulation; energy and sustainable processes
(This special issue belongs to the Section Physical Chemistry)
Fullerene and Its Application
edited by , and Yuriy Prylutskyy
submission deadline 31 Dec 2026 | 2 articles | Viewed by 1370 | Submission Open
Keywords: fullerene; fullerene-based nanomaterials; computer simulation; synthesis and physicochemical characterization; biomedical application
(This special issue belongs to the Section Applied Chemistry)
Molecular Dynamics Simulations: Applications and Advances
edited by and Godehard Sutmann
submission deadline 31 Dec 2026 | 1 articles | Viewed by 1350 | Submission Open
Keywords: force fields and interaction models; ab initio molecular dynamics for ground and excited states: adiabatic and non-adiabatic approaches; adaptive potentials and hybrid interactions; enhanced sampling techniques; free energy calculations and related methods; hybrid and multiscale modeling; integrators and thermostat/barostat algorithms; machine learning and AI in molecular dynamics; applications of MD in life sciences, materials, and energy; system preparation and velocity assignment; trajectory, structural, kinetic, and dynamic analysis; hardware acceleration, parallelization, and software development
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Organic and Inorganic Luminescent Materials, 3rd Edition
edited by , Dan Zou and Xibao Zhang
submission deadline 31 Dec 2026 | 2 articles | Viewed by 1308 | Submission Open
Keywords: luminescent; material; organic; inorganic; OLED; organic light-emitting diode; carbon dot; perovskite; aggregation-induced emission; AIE; thermally activated delayed fluorescence emitter; TADF; mechanism; design; application; process; display; lighting; detection; monitoring
(This special issue belongs to the Section Applied Chemistry)
Advances in Density Functional Theory (DFT) Calculation, 2nd Edition submission deadline 31 Dec 2026 | 3 articles | Viewed by 1296 | Submission Open
Keywords: DFT; theoretical and computational chemistry; new functional materials; calculations of new materials and catalysts; characterization of the catalytic materials; non-covalent interactions (NCI); biological activities; electronic properties; kinetics and catalysis; QTAIM
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Advances in Remediation Methods of Pharmaceutical Pollutants in Water submission deadline 31 Dec 2026 | 1 articles | Viewed by 1225 | Submission Open
Keywords: drug pollutants; advanced oxidation processes; water treatment; electrochemical methods; photodegradation; degradation pathways; mineralization; toxicity assessment
(This special issue belongs to the Section Green Chemistry)
Bioactive Molecules from Natural Reservoirs: Discovery, Synthesis, and Translational Applications in Health and Food
edited by
submission deadline 31 Dec 2026 | 1 articles | Viewed by 1213 | Submission Open
Keywords: bioactive molecules; medicinal and edible plants; microorganisms; synthesis; bioactive mechanisms; human health; food quality control
(This special issue belongs to the Section Natural Products Chemistry)
Novel Functional Crystalline Materials: Structure, Properties, and Application
edited by
submission deadline 31 Dec 2026 | 2 articles | Viewed by 1176 | Submission Open
Keywords: functional crystalline materials; structure-property relationships; metal–organic frameworks (MOFs); covalent organic frameworks (COFs); hybrid perovskites; photonics and optoelectronics; energy storage and conversion; biomaterials applications
(This special issue belongs to the Section Materials Chemistry)
Advances in the Synthesis of Heterocyclic Compounds and Their Applications, 2nd Edition
edited by and Ionel Mangalagiu
submission deadline 31 Dec 2026 | 2 articles | Viewed by 1080 | Submission Open
Keywords: biomimetics and new chemical entities (NCEs); domino reactions; "intelligent" molecules; iterative synthesis; multicomponent reactions; organic (nano-)materials; organo-catalytic systems; selective processes; total synthesis; unconventional methods and techniques
(This special issue belongs to the Section Organic Chemistry)
Integration of Chemical, Biotechnological, and Process Engineering Tools for Sustainable and Circular Food Manufacturing submission deadline 31 Dec 2026 | 1 articles | Viewed by 1018 | Submission Open
Keywords: sustainability; circular economy; food manufacturing; green chemistry; bioprocess engineering; biotechnology; process intensification; waste valorization; enzyme technology
(This special issue belongs to the Section Food Chemistry)
Chemical Compounds or Agents Against Parasites, Bacteria, and Neglected Tropical Diseases
edited by
submission deadline 31 Dec 2026 | 1 articles | Viewed by 967 | Submission Open
Keywords: chemical compounds; resistance; NTDs; targets
(This special issue belongs to the Section Medicinal Chemistry)
Advancements in Enzyme Immobilization Techniques submission deadline 31 Dec 2026 | Viewed by 967 | Submission Open
Keywords: enzyme immobilization; biocatalysis; enzyme stabilization; reusability/recyclability; activity retention; operational stability; mass transfer limitation
(This special issue belongs to the Section Applied Chemistry)
Metal Clusters and Metal Complexes: Free Standing Species, Surface Stabilized Species, Species Under Confinement in Micropores or Inert Gas Matrixes
edited by Peter A. Georgiev
submission deadline 31 Dec 2026 | 1 articles | Viewed by 966 | Submission Open
Keywords: metal clusters; metal complexes; targeted delivery; cancer treatment research; bactericidal; spinal cord recovery; nerve regeneration; progressive neurodegenerative disease diagnosis and treatment
(This special issue belongs to the Section Organometallic Chemistry)
Mechanisms of Chronic Diseases and Intervention Strategies: The Role of Bioactive Compounds in Foods and Herbal Extracts
edited by and Xiang Li
submission deadline 31 Dec 2026 | 2 articles | Viewed by 964 | Submission Open
Keywords: chronic diseases; multi-target intervention; bioactive compounds; herbal extracts; omics technologies; multi-target modulation
(This special issue belongs to the Section Natural Products Chemistry)
Silymarin and Derivatives: From Biosynthesis to Health Benefits 2.0
edited by
submission deadline 31 Dec 2026 | Viewed by 956 | Submission Open
Keywords: silymarin: sources and biosynthesis; secondary metabolites and silymarin derivatives; silymarin bioavailability; silymarin and cardiovascular diseases; silymarin and metabolic syndrome; silymarin and cancer; silymarin and inflammation and immune diseases; silymarin and degenerative age-related diseases
(This special issue belongs to the Section Natural Products Chemistry)
Light and Electric Field Driven Catalysis for Sustainable Energy and Environment
edited by
submission deadline 31 Dec 2026 | 1 articles | Viewed by 934 | Submission Open
Keywords: photocatalysis; electrocatalysis; photoelectrocatalysis; solar fuels; CO2 reduction; environmental remediation; charge transfer; interface engineering; sustainable chemistry
(This special issue belongs to the Section Applied Chemistry)
Doping Strategies for Carbon-Based Electrocatalysts
edited by
submission deadline 31 Dec 2026 | 1 articles | Viewed by 829 | Submission Open
Keywords: carbons; p-doping; n-doping; Fermi level engineering; electrocatalysis; electrochemical sensors; energy conversion and storage; environmental remediation
(This special issue belongs to the Section Electrochemistry)
Recent Advances in Fermentation in Food Chemistry
edited by
submission deadline 31 Dec 2026 | 1 articles | Viewed by 798 | Submission Open
Keywords: fermentation; functional foods; fermented beverages; lactic acid fermentation; ethanol fermentation; bioactive compounds; food microbiology
(This special issue belongs to the Section Food Chemistry)
Nanocarriers for Diagnostics, Imaging and Drug Delivery
edited by Jie Pan and Yonghui Liu
submission deadline 31 Dec 2026 | 1 articles | Viewed by 783 | Submission Open
Keywords: nanocarriers; diagnostics; imaging; drug delivery; targeted therapy
(This special issue belongs to the Section Nanochemistry)
Challenges and Advances in Green Analytical Chemistry submission deadline 31 Dec 2026 | 1 articles | Viewed by 777 | Submission Open
Keywords: green analytical chemistry; miniaturized extraction; nanomaterials; chromatography; mass spectrometry; environmental analysis; food analysis; bioanalytical chemistry; sustainability; novel methods
The Development of Photosensitizers and Photodynamic Medicine
edited by and
submission deadline 31 Dec 2026 | Viewed by 776 | Submission Open
Keywords: photodynamic therapy; photosensitizer development; photosensitizer pharmaceutics; photosensitizer composite materials; targeted delivery for photosensitizer; photodynamic dosimetry
(This special issue belongs to the Section Medicinal Chemistry)
Recent Advances in Circularly Polarized Luminescence Materials
edited by and Biao Zhao
submission deadline 31 Dec 2026 | 1 articles | Viewed by 698 | Submission Open
Keywords: circularly polarized luminescence; chirality; small molecules; polymers; chiral liquid crystals; self-assembled materials; optoelectronics; information security
(This special issue belongs to the Section Materials Chemistry)
Advances in Polymeric Systems Loaded with Natural Bioactive Compounds submission deadline 31 Dec 2026 | 1 articles | Viewed by 688 | Submission Open
Keywords: polymer-based delivery systems with natural bioactive principles encapsulated; polyphenols/flavonoids; polymer–drug conjugates; drug delivery system; natural bioactive compounds; active targeting; omega 3 fatty acids; carotenoids; vitamins; nanoparticles; nanocapsules; liposomes; hydrogels
(This special issue belongs to the Section Macromolecular Chemistry)
Advanced Pharmaceutical Analytical Technology—2nd Edition submission deadline 31 Dec 2026 | 1 articles | Viewed by 652 | Submission Open
Keywords: pharmaceutical; quality by design; design of experiments; analytical method; validation; development and optimization; quality control samples
(This special issue belongs to the Section Analytical Chemistry)
Chemical Compositions and Bioactivities of Foods, 2nd Edition
edited by
submission deadline 31 Dec 2026 | 1 articles | Viewed by 639 | Submission Open
Keywords: foods; phytochemicals; biophytochemicals; food bioactives; chemical compositions; functional foods; dietary supplements; medical foods; biological pathway; molecular mechanisms
(This special issue belongs to the Section Food Chemistry)
Advances in Plant-Sourced Natural Compounds as Anticancer Agents, 2nd Edition submission deadline 31 Dec 2026 | Viewed by 625 | Submission Open
Keywords: medicinal plants; natural compounds; phytochemicals; antioxidant activity; anticancer activity; phytotherapy; drug discovery; drug delivery; pharmaceutical formulation
(This special issue belongs to the Section Natural Products Chemistry)
Chemical Functionalization of Nanoparticles for Biomedical Applications
edited by
submission deadline 31 Dec 2026 | 1 articles | Viewed by 616 | Submission Open
Keywords: functionalized nanoparticles; nanomedicine; targeted drug delivery; bioimaging; theranostics; nano-bio interactions; biomaterials; translational nanotechnology
(This special issue belongs to the Section Nanochemistry)
Challenges in Food Flavor and Volatile Compounds Analysis, the Second Edition submission deadline 31 Dec 2026 | 1 articles | Viewed by 610 | Submission Open
Keywords: flavor; aroma compounds; volatiles; gas chromatography; mass spectrometry; sample preparation; hyphenated methods
(This special issue belongs to the Section Flavours and Fragrances)
Impact of Aromatic Plants and Their Extracts on Insect Models for Nutritional, Medicinal, and Crop Protection Research submission deadline 31 Dec 2026 | 1 articles | Viewed by 570 | Submission Open
Keywords: aromatic plants; bioactive extracts; volatiles; insect models; edible insects; olfaction; bioinsecticides
(This special issue belongs to the Section Natural Products Chemistry)
Advanced Molecular Detection and Health Risk Evaluation: From Food Hazards to Disease Biomarkers
edited by and
submission deadline 31 Dec 2026 | 1 articles | Viewed by 552 | Submission Open
Keywords: molecular detection; foodborne hazards; emerging contaminants; toxicity mechanisms; nuclear receptors; health risk evaluation; cancer biomarkers
(This special issue belongs to the Section Analytical Chemistry)
Challenges in Green Analytical Chemistry submission deadline 31 Dec 2026 | Viewed by 540 | Submission Open
Keywords: green analytical chemistry; sustainable analytical methods; eco-friendly sample preparation; miniaturized techniques; solvent reduction; greenness assessment tools; waste minimization; renewable analytical materials; energy-efficient analysis; green metrics in chemistry
Functional Polysaccharide Systems: From Molecular Interactions to Innovative Applications
edited by Sławomir Pietrzyk and Karolina Królikowska
submission deadline 31 Dec 2026 | 1 articles | Viewed by 540 | Submission Open
Keywords: functional polysaccharide systems; molecular interactions; structure–function relationships; interactions with other components; polymer modification; innovative applications in food and biotechnology
(This special issue belongs to the Section Food Chemistry)
Beyond Convention: Novel Sources, Strategies, and Technologies for Researching Fungal Bioactives submission deadline 31 Dec 2026 | Viewed by 503 | Submission Open
Keywords: fungal bioactives; genome mining; metagenomics; synthetic biology; AI-driven discovery; structure elucidation; extremophilic fungi; drug discovery pipelines
Inhibitors in Cancer Therapy submission deadline 31 Dec 2026 | 1 articles | Viewed by 493 | Submission Open
Keywords: cancer therapy; small-molecule inhibitors; medicinal chemistry; drug design; computer-aided drug design (CADD); molecular docking; molecular dynamic simulations; enzyme inhibitors; anticancer drug discover; cancer-related targets
(This special issue belongs to the Section Medicinal Chemistry)
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