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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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Bioactive Compounds in Plants: Extraction and Application submission deadline 31 Mar 2026 | Viewed by 75 | Submission Open
Keywords: bioactive compounds; extraction; biological activities
(This special issue belongs to the Section Natural Products Chemistry)
Current Emerging Trends of Extraction and Encapsulation in Food, 2nd Edition submission deadline 31 Mar 2026 | Viewed by 72 | Submission Open
Keywords: extraction; encapsulation; drying; emulsion; targeted delivery; stability; bioactive compounds; nonthermal technologies; bioavailability; functional foods
(This special issue belongs to the Section Food Chemistry)
Discovery and Development of Anti-Cancer Drugs: From Signalling Pathways to Molecular Mechanisms
edited by and Lívia Bitencourt Pascoal
submission deadline 31 Mar 2026 | Viewed by 62 | Submission Open
Keywords: discovery of small-molecule inhibitors targeting oncogenic kinases and transcription factors; mechanisms of action and resistance for current and emerging cancer drugs; targeting DNA damage response pathways (e.g.; PARP; ATR; ATM inhibitors); molecular crosstalk between tumor cells and the immune system; role of epigenetics in cancer drug resistance and sensitivity; tumor metabolism as a therapeutic target in Immunochemistry; structure-based drug design and virtual screening; antibody– drug conjugates and novel biologic therapeutics; RNA-targeting therapeutics and mRNA-based cancer vaccines; advances in PROTACs and targeted protein degradation; application of AI and computational chemical biology in drug discovery
(This special issue belongs to the Section Chemical Biology)
Featured Review Papers in Applied Chemistry
edited by
submission deadline 31 Mar 2026 | Viewed by 52 | Submission Open
Keywords: applied chemistry; new molecules and natural materials; analytical methods and techniques; electrochemistry and energy; biodegradable materials and medicines; environment and green chemistry; theoretical chemistry
Advances in Functional Materials for Heterogeneous Electrocatalysis
edited by
submission deadline 31 Mar 2026 | Viewed by 49 | Submission Open
Keywords: interfacial interactions; environmental sustainability; energy conversion; water remediation; in situ characterization; first-principles calculations; machine learning
(This special issue belongs to the Section Electrochemistry)
NMR and MRI in Materials Analysis: Opportunities and Challenges
edited by
submission deadline 31 Mar 2026 | Viewed by 46 | Submission Open
Keywords: molecular dynamics and transport phenomena in polymers; hardening reactions in materials; magnetic resonance in analysis of pharmaceutical products; contrast agents; chemistry of wood and its products; thermal and other types of processing of foods; electrochemistry and transport phenomena in batteries and other energy storage devices
New Perspectives on Analytical Methods in Food Products submission deadline 31 Mar 2026 | Viewed by 44 | Submission Open
Keywords: analytical methods; food and plant analysis; chemical characterization of by-products; valorization and recovery of by-products; extraction methods; liquid chromatography– mass spectrometry; gas chromatography– mass spectrometry; spectrophotometer
(This special issue belongs to the Section Food Chemistry)
Molecular Biophysics of Viral Proteins submission deadline 31 Mar 2026 | Viewed by 44 | Submission Open
Keywords: molecular biophysics; viral proteins; protein structure; protein dynamics; protein folding; protein– membrane interactions; host– virus interactions; antiviral drug design; virus assembly
(This special issue belongs to the Section Chemical Biology)
Biobased Functional Materials for Sustainable Food Packaging and Preservation submission deadline 31 Mar 2026 | Viewed by 42 | Submission Open
Keywords: edible films; active packaging; intelligent packaging; edible coatings; sustainable packaging; food quality
(This special issue belongs to the Section Food Chemistry)
Metal Complexes in Catalysis and Biological Applications
edited by and Edgar Nagles
submission deadline 31 Mar 2026 | Viewed by 41 | Submission Open
Keywords: metal complexes; synthesis and characterization; catalysis; biological activity; DFT; crystal structure
(This special issue belongs to the Section Inorganic Chemistry)
Novel Nanomaterials for Pollution Control and Environmental Remediation submission deadline 31 Mar 2026 | Viewed by 36 | Submission Open
Keywords: functional nanomaterials; environmental pollution; remediation technologies; heavy metals removal; organic pollutants; emerging contaminants; pollution control
(This special issue belongs to the Section Green Chemistry)
Bioactive Compounds in Food and Cosmetics Processing
edited by Katarzyna Grzelak-Błaszczyk and
submission deadline 31 Mar 2026 | Viewed by 35 | Submission Open
Keywords: bioactive compounds; polyphenols; food processing; cosmetics processing; nutricosmetics; structural elucidation; structure– activity relationships
Design and Synthesis of Organic Materials for OLED Applications
edited by Dalius Gudeika
submission deadline 31 Mar 2026 | Viewed by 30 | Submission Open
Keywords: OLED; TADF; DFT calculations; organic light-emitting transistors (OLETs); optoelectronics; emissive materials; multilayer device architectures
(This special issue belongs to the Section Applied Chemistry)
Advanced Materials and Technologies for Wastewater Treatment—2nd Edition submission deadline 31 Mar 2026 | Viewed by 29 | Submission Open
Keywords: photocatalysis; membrane filtration; ion exchange; biological degradation; nanomaterials; carbon materials; metal oxides; titanium dioxide; water purification; waste water treatment; photodegradation; reaction mechanism
(This special issue belongs to the Section Green Chemistry)
Application of Analytical Methods in Food, Drug, and Natural Products Research: 3rd Edition submission deadline 31 Mar 2026 | Viewed by 28 | Submission Open
Keywords: food characterization; food quality check; natural products’ characterization; natural products’ properties; novel analytical methods in food/natural products analysis; drugs characterization; drugs quality check
(This special issue belongs to the Section Analytical Chemistry)
Synthesis, Characterization, and Biological Evaluation of Small Molecules as Anticancer Agents
edited by
submission deadline 31 Mar 2026 | Viewed by 28 | Submission Open
Keywords: anticancer small molecules; medicinal chemistry; drug design and synthesis; structure– activity relationship; targeted therapy; apoptosis induction; preclinical evaluation
(This special issue belongs to the Section Bioorganic Chemistry)
Material Synthesis and Green Catalysis: Innovations for Sustainable Chemistry
edited by Weiwei Guo and
submission deadline 31 Mar 2026 | Viewed by 24 | Submission Open
Keywords: sustainable catalysis; renewable energy; materials design; green chemistry; catalysis
(This special issue belongs to the Section Nanochemistry)
Chemical Analytics for the Discovery and Structural Elucidation of Bioactive Natural Products from Biodiversity submission deadline 31 Mar 2026 | Viewed by 24 | Submission Open
Keywords: natural products; chemodiversity; biodiversity; mass spectrometry; chromatography
(This special issue belongs to the Section Natural Products Chemistry)
Advances in Antibacterial and Antifungal Peptide-Based Agents submission deadline 31 Mar 2026 | Viewed by 22 | Submission Open
Keywords: antimicrobial compounds; antifungal compounds; natural products; synthetic compounds; novel antibiotics; antifungal and antimicrobial drugs; antimicrobial peptides (AMPs)
(This special issue belongs to the Section Medicinal Chemistry)
Future Edible Oils: Green Extraction, Analytical Techniques and Food Industry Applications
edited by and Anne Sylvie Fabiano-Tixier
submission deadline 31 Mar 2026 | Viewed by 22 | Submission Open
Keywords: edible oils; green extraction; sustainable processing; analytical techniques; functional lipids; circular bioeconomy
(This special issue belongs to the Section Green Chemistry)
Extraction and Adsorption of Chemicals from Wastewater
edited by Peng Liu, and
submission deadline 31 Mar 2026 | Viewed by 16 | Submission Open
Keywords: environmental depollution; adsorption processes; catalytic decontamination; porous and layered materials; characterization methods; adsorption removal
(This special issue belongs to the Section Green Chemistry)
Covalent and Noncovalent Interactions in Crystal Chemistry, 3rd Edition
edited by and
submission deadline 31 Mar 2026 | Viewed by 14 | Submission Open
Keywords: covalent and noncovalent interactions; crystal chemistry; molecular recognition and assembly; crystal structure; crystal engineering
(This special issue belongs to the Section Molecular Structure)
Biodegradable Polymers in Asia
edited by
submission deadline 31 Mar 2026 | Viewed by 13 | Submission Open
Keywords: biodegradable polymers; performance optimization; applications
(This special issue belongs to the Section Macromolecular Chemistry)
Dietary Bioactive Compounds: Analytical Challenges and Health Perspectives
edited by
submission deadline 31 Mar 2026 | Viewed by 4 | Submission Open
Keywords: dietary bioactive compounds; analytical methods; bioaccessibility; bioavailability; functional foods
(This special issue belongs to the Section Food Chemistry)
Interaction Between Biomacromolecules and Dietary Antioxidants—Characterisation and Physiological Significance submission deadline 31 Mar 2026 | Viewed by 2 | Submission Open
Keywords: protein– ligand interaction; food matrix; dietary antioxidants; spectroscopic methods; molecular docking; cell culture
(This special issue belongs to the Section Chemical Biology)
Study of Quadruplex Nucleic Acids and Beyond
edited by
submission deadline 1 Apr 2026 | Viewed by 100 | Submission Open
Keywords: G-quadruplexes (G4s); i-Motifs; Z-DNA/RNA; triplex DNA; cruciforms; hairpins; chemical probes; nanomaterials; biosensors
Expanding Natural Product Collections: From Diverse Biological and Food Sources to Innovative Structures submission deadline 1 Apr 2026 | Viewed by 51 | Submission Open
Keywords: natural product collections; targeted and untargeted metabolomics; synthetic and semi-synthetic derivatives; bioassay-guided isolation; structure elucidation; cheminformatics in natural product research; natural product-inspired drug and nutraceutical discovery; food and medicinal plant chemistry
(This special issue belongs to the Section Natural Products Chemistry)
Liquid Crystals, 3rd Edition submission deadline 1 Apr 2026 | Viewed by 50 | Submission Open
Keywords: liquid crystals; ionic liquid crystals; metallomesogens; nanoparticles; liquid crystal composites; polymer liquid crystals; lyotropic liquid crystals
(This special issue belongs to the Section Materials Chemistry)
Chemical Compounds or Agents Against Parasites, Bacteria, and Neglected Tropical Diseases
edited by
submission deadline 1 Apr 2026 | Viewed by 39 | Submission Open
Keywords: chemical compounds; resistance; NTDs; targets
(This special issue belongs to the Section Medicinal Chemistry)
Challenges in Green Analytical Chemistry
edited by and Tatjana Trtić-Petrović
submission deadline 10 Apr 2026 | Viewed by 29 | 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
Catalysis in Organic Chemistry: A Themed Issue Dedicated to Professor Johannes G. de Vries
edited by Sergey Tin
submission deadline 16 Apr 2026 | Viewed by 26 | Submission Open
Keywords: homogeneous catalysis; enantioselective catalysis; transformation of renewable resources; industrial catalysis
(This special issue belongs to the Section Organic Chemistry)
Synthesis, Characterization and Application of Polymer-Based Materials, 2nd Edition submission deadline 30 Apr 2026 | 8 articles | Viewed by 6853 | Submission Open
Keywords: synthetic; natural; and sustainable polymer-based materials; polymer composites; polymer hybrids; multifunctional and smart polymer materials; structure– properties relationship in polymer systems; advanced characterization of polymer multiphase systems; polymer synthesis and reactive processing; polymer-based supports for bioactive molecules; applications of polymer-based materials; hydrophilic polymer systems
(This special issue belongs to the Section Materials Chemistry)
The Anticancer Drugs: A New Perspective
edited by and
submission deadline 30 Apr 2026 | 2 articles | Viewed by 1874 | Submission Open
Keywords: anticancer therapy; targeted therapy; drug design; drug discovery; drug synthesis; nanotechnology
(This special issue belongs to the Section Medicinal Chemistry)
Volatile Natural Products: Extraction, Characterization and Application
edited by
submission deadline 30 Apr 2026 | 2 articles | Viewed by 1302 | Submission Open
Keywords: volatile components; aroma; essential oil; extraction methods; gas chromatography; gas chromatography– mass spectrometry; natural products
(This special issue belongs to the Section Natural Products Chemistry)
Exploring Bioactive Compounds in Foods and Nutrients for Human Health submission deadline 30 Apr 2026 | 2 articles | Viewed by 1122 | Submission Open
Keywords: chronic non-communicable diseases; bioactive compounds; nutrients; human health
Chemical Biology in Asia—Second Edition
edited by and
submission deadline 30 Apr 2026 | 1 articles | Viewed by 728 | Submission Open
Keywords: chemical biology; drug discovery; bioorganic chemistry; enzymology; synthetic biology; analytical tools
(This special issue belongs to the Section Chemical Biology)
Advances and Opportunities of Natural Products in Drug Discovery submission deadline 30 Apr 2026 | 1 articles | Viewed by 475 | Submission Open
Keywords: natural products; drug discovery; pharmacological activity; biological activity; new compounds
(This special issue belongs to the Section Natural Products Chemistry)
Synthesis of Bioactive Compounds: Spectroscopic, Crystallographic and Computational Studies
edited by and Diana Becerra Córdoba
submission deadline 30 Apr 2026 | Viewed by 352 | Submission Open
Keywords: medicinal chemistry; organic chemistry; analytical chemistry; heterocyclic compounds; spectroscopic analysis; crystal structure; biological activity; computational analyses
(This special issue belongs to the Section Medicinal Chemistry)
Metal–Halide Perovskites for Solar Cell and LED Materials
edited by
submission deadline 30 Apr 2026 | Viewed by 315 | 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)
Heterocyclic Compounds: Synthesis and Medicinal Chemistry Applications, 2nd Edition submission deadline 30 Apr 2026 | Viewed by 150 | Submission Open
Keywords: medicinal chemistry; heterocycles; organic synthesis; natural products; pharmacophore; artificial intelligence; CNS drugs; antibacterial agents; antiviral drugs; anticancer agents; enzyme modulators; receptor modulators; ion channel modulators
(This special issue belongs to the Section Medicinal Chemistry)
Chemical Analysis of Pollutant in the Environment submission deadline 30 Apr 2026 | Viewed by 69 | Submission Open
Keywords: inorganic and organic pollutants; persistent organic pollutants; heavy metals; nano- and microplastics; chemical methods; instrumental methods; validation
(This special issue belongs to the Section Green Chemistry)
Exploring Phytochemicals: Their Structure, Biological Activities and Health-Promoting Effects
edited by and Samireh Jorfi
submission deadline 30 Apr 2026 | Viewed by 56 | Submission Open
Keywords: phytochemicals; medicinal/culinary plants; bioactive properties; health benefits
(This special issue belongs to the Section Natural Products Chemistry)
Novel Antiparasitic Molecules for Neglected Tropical Diseases
edited by
submission deadline 30 Apr 2026 | Viewed by 52 | Submission Open
Keywords: neglected tropical diseases; antiparasitic agents; drug design and discovery; structure– activity relationships; drug resistance
(This special issue belongs to the Section Medicinal Chemistry)
Hot Trends in Computational Drug Design submission deadline 30 Apr 2026 | Viewed by 41 | Submission Open
Keywords: AI in drug discovery; cheminformatics; computational drug design; machine learning; molecular docking; molecular dynamics simulations; molecular modeling; pharmacophore; QSAR; structure-based design; virtual screening
Solid Waste and Fly Ash Chemical Treatment Methods—2nd Edition
edited by , and Huimin Liu
submission deadline 30 Apr 2026 | Viewed by 37 | Submission Open
Keywords: solid waste; fly ash; chemical treatment; waste management; thermal treatment; resource recovery; waste-to-energy; environmental chemistry
(This special issue belongs to the Section Green Chemistry)
Molecular Dynamics Simulations: Applications and Advances
edited by and Godehard Sutmann
submission deadline 30 Apr 2026 | Viewed by 32 | 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)
Foam and Emulsion Systems: Stability, Rheology, and Applications
edited by
submission deadline 30 Apr 2026 | Viewed by 31 | Submission Open
Keywords: foams; emulsions; interfacial stability; rheology; soft matter; applications
Catalysis for Drug Discovery
edited by
submission deadline 30 Apr 2026 | Viewed by 24 | Submission Open
Keywords: organic synthesis; metal catalysis; organocatalysis; asymmetric catalysis; photocatalysis; electrocatalysis; drug discovery
(This special issue belongs to the Section Organic Chemistry)
Radiochemistry: Present Status and Future Perspectives
edited by Gregory P. Holmbeck and
submission deadline 30 Apr 2026 | Viewed by 22 | Submission Open
Keywords: actinides; isotope production; nuclear energy; nuclear medicine; radioisotopes; radiolysis; separations; waste management
(This special issue belongs to the Section Medicinal Chemistry)
Exploring the Modification of Nanocellulose: Strategies for Enhancing Properties and Expanding Applications submission deadline 30 Apr 2026 | Viewed by 21 | Submission Open
Keywords: nanocellulose; cellulose-polymer composites; cellulose nanofibers (CNFs); cellulose nanocrystals (CNCs); cellulose processing; nanocellulose functionalization; TEMPO cellulose; surface modification; grafting; nanocellulose biosensors
(This special issue belongs to the Section Macromolecular Chemistry)
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