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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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Self-Assembly in Supramolecular Chemistry: From Fundamentals to Applications
edited by and Jiarui Wu
submission deadline 31 Aug 2026 | 1 articles | Viewed by 570 | Submission Open
Keywords: supramolecular self-assembly; macrocyclic hosts; stimuli-responsive systems; host– guest chemistry; functional materials; supramolecular chemistry
Novel Functional Nanomaterials for Energy, Environmental and Sensing Applications
edited by , Ming Li and Miao Cheng
submission deadline 31 Aug 2026 | 1 articles | Viewed by 563 | Submission Open
Keywords: gas sensor and device; fluorescence probe; environmental catalysis; environmental monitoring; hydrogen production and safety; energy storage materials
(This special issue belongs to the Section Materials Chemistry)
Natural Products in Antibacterial Research of Plant and Food Extracts submission deadline 31 Aug 2026 | Viewed by 511 | Submission Open
Keywords: natural compounds; new antibacterials; extraction methods; chemistry; mechanism of action; food preservatives; anti-infectious agents; food-borne bacterial pathogens
(This special issue belongs to the Section Natural Products Chemistry)
Toxicological Profiles, Anti-Inflammatory and Anticancer Activities of Plant Extracts
edited by
submission deadline 31 Aug 2026 | 1 articles | Viewed by 474 | Submission Open
Keywords: plant extracts; phytochemicals; natural products; toxicological profiling; safety assessment; cytotoxicity; genotoxicity; oxidative stress; immune response; molecular mechanisms; phytovigilance
(This special issue belongs to the Section Natural Products Chemistry)
Chemistry and Pediatric Cancer Therapy: Small Molecules and Protein Degraders in Drug Discovery
edited by Gisele Nishiguchi and
submission deadline 31 Aug 2026 | Viewed by 468 | Submission Open
Keywords: drug design; small molecules; protein; computational medicinal chemistry; anticancer; medicinal chemistry; biomolecular interactions
(This special issue belongs to the Section Medicinal Chemistry)
Antioxidants from Natural Sources: Current Status and Future Perspective
edited by
submission deadline 31 Aug 2026 | Viewed by 465 | Submission Open
Keywords: natural antioxidants; bioactive compounds; plant extracts; oxidative stress; green extraction; functional foods
(This special issue belongs to the Section Natural Products Chemistry)
New Approaches in the Synthesis of Organophosphorus Compounds
edited by and
submission deadline 31 Aug 2026 | Viewed by 465 | Submission Open
Keywords: organophosphorus chemistry; P-compounds; reactivity of P-compounds; P-C bond formation; phosphorus-based organocatalysis; phosphonium-based ionic liquids (PILs); mitochondria-targeted triphenylphosphonium-based compounds; bisphosphonates; neutralization of P-compounds; chemical warfare agents; structure elucidation of P-compounds
(This special issue belongs to the Section Organic Chemistry)
Chemical Analytics for the Discovery and Structural Elucidation of Bioactive Natural Products from Biodiversity submission deadline 31 Aug 2026 | Viewed by 459 | Submission Open
Keywords: natural products; chemodiversity; biodiversity; mass spectrometry; chromatography
(This special issue belongs to the Section Natural Products Chemistry)
Metal Organic Frameworks (MOFs): Current Advances and Future Perspectives
edited by Bhausaheb Dhokale
submission deadline 31 Aug 2026 | Viewed by 429 | Submission Open
Keywords: metal– organic frameworks (MOFs); porous materials; catalysis; gas storage; drug delivery; hybrid materials; post-synthetic modification
(This special issue belongs to the Section Materials Chemistry)
Functional Foods and Bioactive Ingredients: From Research Through Technology to Product Development
edited by
submission deadline 31 Aug 2026 | 1 articles | Viewed by 428 | Submission Open
Keywords: functional foods; bioactive ingredients; extraction technologies; bioavailability; food quality; product development
(This special issue belongs to the Section Food Chemistry)
Antioxidant Properties of Bioactive Compounds from Plants submission deadline 31 Aug 2026 | 1 articles | Viewed by 418 | Submission Open
Keywords: reactive oxidant species; antioxidant protocols; antioxidant compounds; factors of influence; diseases
(This special issue belongs to the Section Natural Products Chemistry)
Next-Generation Deep Eutectic Solvents for Sustainable Synthesis and Electrochemical Application
edited by
submission deadline 31 Aug 2026 | Viewed by 411 | Submission Open
Keywords: deep eutectic solvents; electrosynthesis; energy storage/conversion; chemical synthesis; wearable electronic devices; computation methods
(This special issue belongs to the Section Green Chemistry)
Essential Oils and Their Multifaceted Studies: From Extraction to Applications submission deadline 31 Aug 2026 | Viewed by 403 | Submission Open
Keywords: in silico; in vivo; in vitro; agriculture; food science; medicinal; pharmacological
(This special issue belongs to the Section Food Chemistry)
Isolation and Structure Determination of Bioactive Natural Products, Third Edition submission deadline 31 Aug 2026 | Viewed by 394 | Submission Open
Keywords: primary and secondary plant metabolites; sample preparation methods; hyphenated analytical methods; natural product research; measuring biological activity; structure– activity relationships
(This special issue belongs to the Section Natural Products Chemistry)
Computational Approaches in Drug Discovery and Design, 2nd Edition
edited by
submission deadline 31 Aug 2026 | Viewed by 346 | Submission Open
Keywords: combined and integrated approaches in CADD; QM/MM and quantum chemical computations for protein–ligand binding; scoring function; binding free energy; target identification; molecular docking; molecular dynamics simulation; machine learning or deep learning; data fitting; database; pattern recognition; druglikeness; drug design or drug discovery
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Peptides That Do Things: Bioactive Peptides from Discovery to Application submission deadline 31 Aug 2026 | Viewed by 336 | Submission Open
Keywords: bioactive peptides; antimicrobial peptides; peptide therapeutics; peptidomimetics; natural peptides; solid-phase peptide synthesis; peptide design; structure– activity relationships; mechanism of action; enzyme inhibition; membrane-active peptides; computational modeling; molecular docking; molecular dynamics; RiPPs; cyclotides; functional biomaterials; neurodegeneration
(This special issue belongs to the Section Bioorganic Chemistry)
Synthesis, Properties, and Applications of Perovskite Nanocrystals and Their Composites
edited by and Weilin Zheng
submission deadline 31 Aug 2026 | Viewed by 323 | Submission Open
Keywords: perovskite nanocrystals; composite nanomaterials; novel synthetic strategies; photoluminescence properties; stability enhancement mechanisms; perovskite light-emitting diodes (LEDs); solar cells; lasers; sensors; bioimaging; photodetectors; photocatalysis; radiation detection; flexible electronics; display technology; quantum technology; thermochromism and other optoelectronic devices
(This special issue belongs to the Section Nanochemistry)
Fruits and Vegetables as Prospective Reserves of Bioactive Compounds—Second Edition
edited by and Milda Pukalskiene
submission deadline 31 Aug 2026 | Viewed by 309 | Submission Open
Keywords: fruits; vegetables; fruit products; vegetable products; fruit processing by-products; vegetable processing by-products; phytochemicals; secondary metabolites; dietary fibre; bioactivities; health-promoting properties; health claims; functional foods; nutraceuticals; synergistic effects
(This special issue belongs to the Section Natural Products Chemistry)
Transition Metal Complexes for Small Molecule Bond Activation submission deadline 31 Aug 2026 | Viewed by 306 | Submission Open
Keywords: transition metal complex; bond activation; small molecule; functionalization; oxidative addition; metal– ligand and metal– metal cooperation; second coordination sphere interactions
(This special issue belongs to the Section Organic Chemistry)
Recent Advances in Lipid Peroxidation: Mechanisms and Inhibitors
edited by
submission deadline 31 Aug 2026 | Viewed by 298 | Submission Open
Keywords: lipid autoxidation; peroxyl radical; redox biology; oxidative stress; antioxidant; ferroptosis
(This special issue belongs to the Section Medicinal Chemistry)
Applications of Advanced Functional Materials: Electrocatalysis and Energy submission deadline 31 Aug 2026 | Viewed by 288 | Submission Open
Keywords: functional nanomaterials; advanced catalysts; hydrogen evolution reaction (HER); sustainable energy; electrocatalysis; energy conversion
(This special issue belongs to the Section Materials Chemistry)
Recent Advances in Computer-Aided Drug Design and Drug Discovery, 2nd Edition
edited by and Dingguo Xu
submission deadline 31 Aug 2026 | Viewed by 282 | Submission Open
Keywords: computer-aided drug design; structure-based drug design; ligand-based drug design; fragment-based drug design; pharmacophore; QSAR; molecular modelling; artificial intelligence
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Photochemistry in Asia—Second Edition
edited by
submission deadline 31 Aug 2026 | Viewed by 281 | Submission Open
Keywords: photochemistry; photophysics; photocatalysts; synthetic photochemistry; photoelectrochemistry; computational photochemistry; luminescent molecular sensors; nanomaterials; electron transfer; energy transfer
(This special issue belongs to the Section Photochemistry)
Antimicrobial Properties of Natural Products—Third Edition
edited by
submission deadline 31 Aug 2026 | Viewed by 280 | Submission Open
Keywords: natural products; extracts; fractions; purified compounds; antimicrobial properties; bacteria; virus; fungi
(This special issue belongs to the Section Natural Products Chemistry)
Advancing Next-Generation Technologies with MXenes, 2nd Edition
edited by Asif Shahzad and
submission deadline 31 Aug 2026 | Viewed by 276 | Submission Open
Keywords: MAX phase; 2D MXene; MXene derivatives and heterostructures; fluoride-free synthesis; energy storage; EMI; catalysis; water purification; bottom-up approaches; hybrid systems
(This special issue belongs to the Section Materials Chemistry)
Advanced Functional Quantum Dots: Design, Properties and Application submission deadline 31 Aug 2026 | Viewed by 271 | Submission Open
Keywords: quantum dots; functionalization; quantum modelling; novel materials; nanomaterials
(This special issue belongs to the Section Nanochemistry)
Positive and Negative Aspects of Natural Products Research: Isolation, Structure Elucidation and Biological Activities
edited by , and Kishor Mazumder
submission deadline 31 Aug 2026 | Viewed by 269 | Submission Open
Keywords: natural products; isolation techniques; structure elucidation; spectroscopic techniques; quantum-chemistry calculations; molecular docking studies; bioactivity studies
(This special issue belongs to the Section Natural Products Chemistry)
Bioactive Components From Fungi in the Context of Biomedical Applications
edited by Magdalena Jaszek
submission deadline 31 Aug 2026 | 1 articles | Viewed by 265 | Submission Open
Keywords: fungal bioactive substances; polysaccharides; phenolic compounds; mushroom extracts; medicinal mushrooms; biomedical applications; functional food
(This special issue belongs to the Section Natural Products Chemistry)
Curcumin Derivatives: Synthesis, Structural Diversity and Biological Potential
edited by Raul G. Enriquez and Marco A. Obregón-Mendoza
submission deadline 31 Aug 2026 | Viewed by 261 | Submission Open
Keywords: curcumin; demethoxycurcumin; bisdemethoxycurcumin; antioxidant activities; anti-cancer activities; anti-Alzheimer disease; curcuminoid metal complexes; curcumin-based fluorescent probes
(This special issue belongs to the Section Natural Products Chemistry)
Recent Advances in Immobilization of Bioactive Molecules in Polymeric Materials submission deadline 31 Aug 2026 | Viewed by 252 | Submission Open
Keywords: immobilization of biomolecules; polymer supports for biomolecules; covalent immobilization; non-covalent immobilization; immobilization by encapsulation/entrapment; stimuli-responsive polymer-based conjugates; molecularly imprinted polymers; biocatalysis with polymer-supported biomolecules; biosensing with polymer-supported biomolecules; drug/gene delivery with polymer-supported biomolecules
(This special issue belongs to the Section Macromolecular Chemistry)
Bio-Based Polymer Composites and Functional Hydrogels for Active Packaging, Drug Delivery, and Wound Healing Applications submission deadline 31 Aug 2026 | Viewed by 249 | Submission Open
Keywords: bio-based polymers; functional hydrogels; active packaging; drug delivery systems; wound healing
(This special issue belongs to the Section Applied Chemistry)
Natural and Synthetic Alkaloids in Drug Discovery
edited by Anna K. Przybył and
submission deadline 31 Aug 2026 | Viewed by 247 | Submission Open
Keywords: alkaloids; drug discovery; natural products; synthetic modification; medicinal chemistry; structure– activity relationships; pharmacological potential; biotechnological approaches
(This special issue belongs to the Section Medicinal Chemistry)
Radiopharmaceutical Chemistry: Developments and Breaks
edited by
submission deadline 31 Aug 2026 | 1 articles | Viewed by 244 | Submission Open
Keywords: radiopharmaceutical chemistry; organic; peptide; analytical and metal organic radiochemistry; synthesis machines/synthesizer; radioactive labeling; isotopes; human biochemistry; metabolism/metabolites
(This special issue belongs to the Section Medicinal Chemistry)
Design, Synthesis, and Application of Functional Nanomaterials in Environmental Analysis and Agriculture Protection
edited by
submission deadline 31 Aug 2026 | Viewed by 237 | Submission Open
Keywords: functional nanomaterials; environmental analytical chemistry; environmental pollutants; agriculture protection; abiotic and biotic stress; response mechanisms; analytical techniques
(This special issue belongs to the Section Materials Chemistry)
Covalent Organic Frameworks for Photocatalysis or Fluorescence Detection
edited by and Bing Han
submission deadline 31 Aug 2026 | Viewed by 235 | Submission Open
Keywords: covalent organic framework (COF); photocatalysis; water splitting; CO2 reduction; H2O2 production; fluorescence detection
(This special issue belongs to the Section Photochemistry)
New Sights in Stereoselective Synthesis
edited by , and Francesca Franco
submission deadline 31 Aug 2026 | Viewed by 234 | Submission Open
Keywords: asymmetric synthesis; organocatalysis; metal-based catalysts; chiral reagents; enzymatic reactions; synthesis in alternative biodegradable solvents; light-driven reactions; biocatalysis; electrochemical organic synthesis; continuous flow reactions
(This special issue belongs to the Section Organic Chemistry)
Extraction and Adsorption of Chemicals from Wastewater
edited by Peng Liu, and
submission deadline 31 Aug 2026 | Viewed by 226 | 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)
Advanced Adsorbent Materials for Environmental Applications submission deadline 31 Aug 2026 | Viewed by 222 | Submission Open
Keywords: advanced adsorbents; MOFs/COFs and porous carbons; PFAS and emerging contaminants; adsorption mechanisms and kinetics; regeneration and stability; hybrid processes (photocatalysis and membranes); green synthesis
(This special issue belongs to the Section Applied Chemistry)
Functional Polymeric Materials for Molecular Recognition and Bioseparation
edited by
submission deadline 31 Aug 2026 | Viewed by 219 | Submission Open
Keywords: functional polymeric materials; molecularly imprinted polymers; smart/responsive polymers; biomimetic interfaces; affinity polymers; surface-imprinted materials; hydrogels; membranes; bioseparation; affinity chromatography; membrane separation; integrated system; continuous bioprocessing
(This special issue belongs to the Section Macromolecular Chemistry)
Nanomaterials for Advanced Electrodes
edited by Le Li and
submission deadline 31 Aug 2026 | Viewed by 217 | Submission Open
Keywords: nanomaterials; electrodes; electrochemistry; surface and interface chemistry; electrocatalysis; electrochemical analysis
(This special issue belongs to the Section Electrochemistry)
Advances in Targeted Delivery of Nanomedicines, 2nd Edition submission deadline 31 Aug 2026 | Viewed by 213 | Submission Open
Keywords: nanomedicines; drug delivery; target delivery; nanoscience; cancer signaling
(This special issue belongs to the Section Medicinal Chemistry)
Surfactants—SWOT Portfolio submission deadline 31 Aug 2026 | Viewed by 213 | Submission Open
Keywords: surfactants; surfaces; adsorption; formulations; ecological approach; environmental assessment
(This special issue belongs to the Section Physical Chemistry)
Natural Products as Enzyme Inhibitors: Chemical Characterization and Bioactivity
edited by Niko Radulović and
submission deadline 31 Aug 2026 | Viewed by 213 | Submission Open
Keywords: natural products; enzyme inhibitors; chemical characterization; GC-MS; enzyme kinetics; molecular docking; QSAR; structure-activity relationships
(This special issue belongs to the Section Natural Products Chemistry)
Novel Biochemical Processes for Treatment and Valorization of Wastes and Biomass—Second Edition
edited by and Michail Fountoulakis
submission deadline 31 Aug 2026 | Viewed by 212 | Submission Open
Keywords: waste/biomass; valorization; biochemical processing; feedstocks; biocatalysts; biochemical approach
(This special issue belongs to the Section Green Chemistry)
Pharmacological Effects of Natural Products: Antioxidant, Anti-Inflammatory and Anticancer Activities, 2nd Edition submission deadline 31 Aug 2026 | Viewed by 210 | Submission Open
Keywords: natural products; plant extracts; phytochemical inflammatory diseases; oxidative stress; cancer; biological activity; drug discovery
(This special issue belongs to the Section Natural Products Chemistry)
Lipids and Surfactants in Drug Discovery, Development and Delivery Systems submission deadline 31 Aug 2026 | Viewed by 210 | Submission Open
Keywords: micelles; liposomes; micro- and nano-emulsions; solubility; physicochemical and pharmacokinetic properties; drug design; controlled release; drug discovery; drug development
(This special issue belongs to the Section Medicinal Chemistry)
Sustainable Chemistry with Organophosphorus Compounds
edited by
submission deadline 31 Aug 2026 | Viewed by 208 | Submission Open
Keywords: organophosphorus compounds; phosphonates; phosphinates; phosphazenes; bisphosphonates; sustainable chemistry
(This special issue belongs to the Section Green Chemistry)
Heterocyclic Compounds Against Cancer and Neurodegenerative Diseases
edited by
submission deadline 31 Aug 2026 | Viewed by 206 | Submission Open
Keywords: cancer; neuroprotection; drug; modeling; drug design
(This special issue belongs to the Section Medicinal Chemistry)
Next-Generation Metal Halides: Luminescence, Stability, and Device Applications
edited by Rastgo Hawrami
submission deadline 31 Aug 2026 | Viewed by 205 | Submission Open
Keywords: metal halide perovskites; lead-free metal halides; photoluminescence; self-trapped excitons (STEs); stability engineering; passivation strategies; light-emitting diodes (LEDs); photodetectors; dimensionality engineering; ion migration; defect physics; scalable synthesis and device integration
(This special issue belongs to the Section Photochemistry)
Chemistry and Biological Activities of Lichens and Fungi
edited by
submission deadline 31 Aug 2026 | Viewed by 204 | Submission Open
Keywords: lichens; fungi; metabolites; bioactivity; structural elucidation; metabolomics; biotechnology
(This special issue belongs to the Section Natural Products Chemistry)
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