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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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Advances in Trace Element Analysis: Techniques and Applications
edited by
submission deadline 31 Dec 2026 | 4 articles | Viewed by 4178 | Submission Open
Keywords: trace element analysis; speciation techniques; environmental monitoring; atomic spectrometry; mass spectrometry; chromatography; bioavailability; environmental impact
(This special issue belongs to the Section Analytical Chemistry)
30th Anniversary of Molecules—Recent Advances in Medicinal Chemistry submission deadline 31 Dec 2026 | 3 articles | Viewed by 4136 | 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 | 4 articles | Viewed by 3917 | 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)
Heterocyclic Molecules in Drug Discovery submission deadline 31 Dec 2026 | 3 articles | Viewed by 3544 | Submission Open
Keywords: organic synthesis of bioactive heterocyclic compounds; structural analysis of heterocycles; biological activity of heterocycles; ADME properties of heterocycles; in silico analysis and experimental analysis of heterocyclic molecules
(This special issue belongs to the Section Medicinal Chemistry)
Featured Reviews in Chemical Biology 2026
edited by and
submission deadline 31 Dec 2026 | 2 articles | Viewed by 3451 | 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)
Plant Bioactive Compounds in Pharmaceuticals, 2nd Edition submission deadline 31 Dec 2026 | 2 articles | Viewed by 3426 | Submission Open
Keywords: bioactive compounds; medicinal plant; phytocomplexes; cell cultures
(This special issue belongs to the Section Natural Products Chemistry)
Advances in Density Functional Theory (DFT) Calculation, 2nd Edition submission deadline 31 Dec 2026 | 6 articles | Viewed by 3043 | 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)
Bioactive Molecules from Natural Reservoirs: Discovery, Synthesis, and Translational Applications in Health and Food
edited by
submission deadline 31 Dec 2026 | 2 articles | Viewed by 3001 | 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)
Photo- and Sonodynamic Antimicrobial and Anticancer Compounds submission deadline 31 Dec 2026 | 2 articles | Viewed by 2887 | Submission Open
Keywords: photosensitizers; sonosensitizers; photodynamic treatment; sonodynamic treatment; antimicrobials; anticancer treatment
(This special issue belongs to the Section Medicinal Chemistry)
Functional Molecules as Novel Cosmetic Ingredients, 2nd Edition
edited by Jing Wang and
submission deadline 31 Dec 2026 | 1 articles | Viewed by 2867 | 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)
Exploring Phytochemicals: Their Structure, Biological Activities and Health-Promoting Effects
edited by and Samireh Jorfi
submission deadline 31 Dec 2026 | 2 articles | Viewed by 2734 | Submission Open
Keywords: phytochemicals; medicinal/culinary plants; bioactive properties; health benefits
(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 2672 | 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)
Fullerene and Its Application
edited by , and Yuriy Prylutskyy
submission deadline 31 Dec 2026 | 3 articles | Viewed by 2634 | Submission Open
Keywords: fullerene; fullerene-based nanomaterials; computer simulation; synthesis and physicochemical characterization; biomedical application
(This special issue belongs to the Section Applied Chemistry)
Foam and Emulsion Systems: Stability, Rheology, and Applications
edited by
submission deadline 31 Dec 2026 | 1 articles | Viewed by 2633 | Submission Open
Keywords: foams; emulsions; interfacial stability; rheology; soft matter; applications
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 2625 | Submission Open
Keywords: adaptogens; immunomodulation; inflammation; phytochemicals; herbal medicine; cytokines; oxidative stress
(This special issue belongs to the Section Medicinal Chemistry)
Synthesis and Characterization of Hybrid Biomaterials for Life Sciences submission deadline 31 Dec 2026 | 4 articles | Viewed by 2584 | 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)
Deep Eutectic Solvents: Properties, Applications and Perspectives submission deadline 31 Dec 2026 | 3 articles | Viewed by 2487 | 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)
Functional Molecules Design for Nutrition Health
edited by and
submission deadline 31 Dec 2026 | 2 articles | Viewed by 2482 | 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)
Metal–Halide Perovskites for Solar Cell and LED Materials
edited by
submission deadline 31 Dec 2026 | 1 articles | Viewed by 2436 | 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)
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 2403 | Submission Open
Keywords: marine organisms; bioactive metabolites; marine invertebrates and their associated microorganisms
(This special issue belongs to the Section Natural Products Chemistry)
Chemistry and Biological Activities of Lichens and Fungi
edited by
submission deadline 31 Dec 2026 | 4 articles | Viewed by 2389 | Submission Open
Keywords: lichens; fungi; metabolites; bioactivity; structural elucidation; metabolomics; biotechnology
(This special issue belongs to the Section Natural Products Chemistry)
Innovative Technologies for Food Processing and Preservation submission deadline 31 Dec 2026 | 2 articles | Viewed by 2386 | Submission Open
Keywords: innovative food processing technologies; food preservation; food safety and quality; food sustainability; shelf-life extension; microbial inactivation; bioactive compounds
(This special issue belongs to the Section Food Chemistry)
Progress in Green Analytical Methods for the Detection of Trace Substances in Complex Matrices submission deadline 31 Dec 2026 | 3 articles | Viewed by 2280 | 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)
Advances in Lactam Chemistry: From Synthetic Strategies to Biological Applications
edited by
submission deadline 31 Dec 2026 | 2 articles | Viewed by 2246 | 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)
Functional Polysaccharide Systems: From Molecular Interactions to Innovative Applications
edited by Sławomir Pietrzyk and Karolina Królikowska
submission deadline 31 Dec 2026 | 3 articles | Viewed by 2109 | 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)
Recent Advances in Peptide Assembly and Bioactivity
edited by
submission deadline 31 Dec 2026 | 1 articles | Viewed by 2056 | Submission Open
Keywords: peptide; self-assembly; co-assembly; stimuli-responsive; bioactivity; biomaterials
(This special issue belongs to the Section Bioorganic 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 2025 | 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)
Exploring Physical Chemistry Processes in Chemical Engineering: From Analysis to Application submission deadline 31 Dec 2026 | 2 articles | Viewed by 1969 | 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)
Organic and Inorganic Luminescent Materials, 3rd Edition
edited by , Dan Zou and Xibao Zhang
submission deadline 31 Dec 2026 | 2 articles | Viewed by 1969 | 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)
Sprouts and Microgreens as Functional Foods: Phytochemistry, Mechanisms of Action, and Biological Activity
edited by
submission deadline 31 Dec 2026 | 1 articles | Viewed by 1861 | 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)
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 1857 | 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)
Advances in Remediation Methods of Pharmaceutical Pollutants in Water submission deadline 31 Dec 2026 | 2 articles | Viewed by 1745 | 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)
One Health Drugs Against Vector-Borne Parasitic Diseases—a Sustainable Chemical/Biological Approach submission deadline 31 Dec 2026 | 1 articles | Viewed by 1715 | Submission Open
Keywords: vector-borne diseases; parasitic diseases; antiparasitic drugs; transmission-blocking drugs; chemotherapy; drug resistance; drug repurposing; pharmacokinetics; natural products; organic production; host-directed therapy; combination therapy; in vitro/in vivo models; drug delivery systems; nanomedicine; pharmacodynamics
(This special issue belongs to the Section Medicinal Chemistry)
Chemical Functionalization of Nanoparticles for Biomedical Applications
edited by
submission deadline 31 Dec 2026 | 1 articles | Viewed by 1622 | 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)
Chemical Compounds or Agents Against Parasites, Bacteria, and Neglected Tropical Diseases
edited by
submission deadline 31 Dec 2026 | 2 articles | Viewed by 1596 | Submission Open
Keywords: chemical compounds; resistance; NTDs; targets
(This special issue belongs to the Section Medicinal Chemistry)
Recent Advances in Fermentation in Food Chemistry
edited by
submission deadline 31 Dec 2026 | 2 articles | Viewed by 1576 | 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)
Novel Functional Crystalline Materials: Structure, Properties, and Application
edited by
submission deadline 31 Dec 2026 | 2 articles | Viewed by 1574 | 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)
Molecular Dynamics Simulations: Applications and Advances
edited by and Godehard Sutmann
submission deadline 31 Dec 2026 | 1 articles | Viewed by 1571 | 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)
Inhibitors in Cancer Therapy submission deadline 31 Dec 2026 | 2 articles | Viewed by 1416 | 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)
Integration of Chemical, Biotechnological, and Process Engineering Tools for Sustainable and Circular Food Manufacturing submission deadline 31 Dec 2026 | 1 articles | Viewed by 1374 | 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)
Impact of Aromatic Plants and Their Extracts on Insect Models for Nutritional, Medicinal, and Crop Protection Research submission deadline 31 Dec 2026 | 2 articles | Viewed by 1310 | 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 Nanomaterials for Energy Storage Devices, 2nd Edition
edited by
submission deadline 31 Dec 2026 | 1 articles | Viewed by 1305 | Submission Open
Keywords: electrochemical energy storage; carbon nanomaterials; layered transition metal dichalcogenides; porous 1D nanomaterials; 2D transition metal carbides/nitride (MXene) nanomaterials; energy conversion and storage; fuel cells; batteries; flow batteries; supercapacitors; hydrogen production; storage and distribution; utilization of carbon dioxide
(This special issue belongs to the Section Inorganic Chemistry)
Food Chemistry and Bioactive Compounds in Relation to Health, 3rd Edition submission deadline 31 Dec 2026 | 2 articles | Viewed by 1303 | 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)
Challenges in Food Flavor and Volatile Compounds Analysis, the Second Edition submission deadline 31 Dec 2026 | 1 articles | Viewed by 1253 | 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)
Synthesis, Modification, and Bioactive Evaluation of Peptides and Their Analogs
edited by
submission deadline 31 Dec 2026 | 2 articles | Viewed by 1249 | Submission Open
Keywords: biologically active peptides; bioconjugates with peptides; peptide ligands; biological activity; non-proteinogenic amino acids; peptide mimetics
(This special issue belongs to the Section Chemical Biology)
Light and Electric Field Driven Catalysis for Sustainable Energy and Environment
edited by
submission deadline 31 Dec 2026 | 1 articles | Viewed by 1242 | 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)
Inclusion Complex: Formation, Structure and Properties
edited by , Wagner De Almeida and
submission deadline 31 Dec 2026 | 1 articles | Viewed by 1218 | Submission Open
Keywords: inclusion complex; host–guest interaction; computational chemistry; intermolecular interactions; structural characterization; supramolecular interactions
(This special issue belongs to the Section Molecular Structure)
Recent Advances of Biochar in Wastewater Treatment submission deadline 31 Dec 2026 | 2 articles | Viewed by 1207 | Submission Open
Keywords: biochar; wastewater treatment; adsorption; hybrid treatment; sorbent; catalyst; composite; heavy metals; nutrients; pharmaceuticals; circular economy; life cycle assessment
(This special issue belongs to the Section Applied Chemistry)
The Development of Photosensitizers and Photodynamic Medicine
edited by and
submission deadline 31 Dec 2026 | 1 articles | Viewed by 1184 | 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)
Anticancer Drugs: Design, Synthesis, and Anticancer Activity
edited by Yusuf Tutar
submission deadline 31 Dec 2026 | 2 articles | Viewed by 1182 | Submission Open
Keywords: structure–activity relationships; pharmacological evaluation; prodrugs and drug delivery; targeted cancer therapy; small molecules, peptides and natural products as anticancer agents; computational drug discovery and virtual screening; mechanism of action studies; in vitro and in vivo anticancer assays; cancer cell signaling modulation
(This special issue belongs to the Section Medicinal Chemistry)
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