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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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Ligand Binding to DNA and RNA, 2nd Edition
edited by Dijana Pavlović Saftić and
submission deadline 10 Sep 2026 | 1 articles | Viewed by 1143
Keywords: DNA/RNA targeting; small-molecule ligands; supramolecular binding; theranostic agents; photodynamic therapy (PDT)
(This special issue belongs to the Section Bioorganic Chemistry)
Recent Advances in Graphene-Based Materials submission deadline 10 Sep 2026 | Viewed by 593
Keywords: graphene; graphene oxide; reduced graphene oxide; 2D; energy storage; catalysis; optoelectronics
(This special issue belongs to the Section Materials Chemistry)
Green and Environmentally Friendly Visible-Light- and Transition Metal-Catalyzed Synthesis
edited by
submission deadline 15 Sep 2026 | 2 articles | Viewed by 6832 | Submission Open
Keywords: green synthesis; sustainable chemistry; transition metal catalysis; light induced transformations; photoredox catalysis; organic synthesis
(This special issue belongs to the Section Organic Chemistry)
Protein–Ligand Interactions, 2nd Edition submission deadline 15 Sep 2026 | 2 articles | Viewed by 2600 | Submission Open
Keywords: protein–ligand interactions; binding affinity; protein structure and function
(This special issue belongs to the Section Chemical Biology)
Bioactive Compounds in Food Nutrition: From Source to Health Benefits submission deadline 15 Sep 2026 | 1 articles | Viewed by 1498 | Submission Open
Keywords: bioactive compounds; functional foods; extraction and purification; structural elucidation; biological activity; health benefits; nutraceuticals; antioxidants
(This special issue belongs to the Section Food Chemistry)
Quinoline System in Design and Synthesis of New Bioactive Agents
edited by
submission deadline 15 Sep 2026 | 1 articles | Viewed by 1096 | Submission Open
Keywords: quinoline derivatives; synthesis; analysis; biological activity; ADMET; SAR; hybrid systems; pharmacophore substituents; medicinal chemistry
(This special issue belongs to the Section Medicinal Chemistry)
Chemical Analysis and Bioactivity of Plant Natural Products
edited by
submission deadline 15 Sep 2026 | Viewed by 431 | Submission Open
Keywords: plant metabolite; plant extract; extraction; isolation; biological activities; chemical analysis
(This special issue belongs to the Section Natural Products Chemistry)
Molecular Insights into Polyoxometalate-Based Functional Materials
edited by Florence Volatron
submission deadline 15 Sep 2026 | Viewed by 337 | Submission Open
Keywords: POM-based materials; nanoobjects; thin films; multidimensional networks; composites; soft matter; nanoscale microscopies; X-ray spectroscopies; X-ray diffraction
(This special issue belongs to the Section Inorganic Chemistry)
Microbial Biotransformation of Organic Residues for Sustainable Production of High-Value Bioactive Compounds submission deadline 15 Sep 2026 | Viewed by 292 | Submission Open
Keywords: organic residues; microbial biotransformation; circular bioeconomy; high-value bioproducts; bioactivity screening
(This special issue belongs to the Section Green Chemistry)
Recent Advances in the Materials for Sodium-Ion Batteries
edited by
submission deadline 15 Sep 2026 | Viewed by 271 | Submission Open
Keywords: sodium-ion battery; cathode Materials; anode materials; electrolyte; multi-scale computational studies; electrode binder; battery recycling
(This special issue belongs to the Section Materials Chemistry)
Computational Approaches: Drug Discovery and Design in Medicinal Chemistry and Bioinformatics, 4th Edition submission deadline 16 Sep 2026 | 4 articles | Viewed by 4768 | Submission Open
Keywords: QSAR and 3D-QSAR; unbiased and biased molecular dynamics; pharmacophore modeling; reverse modeling; ab initio calculations; protein–protein interactions; free energy profiling; modeling of nucleic acids (mRNA, rRNA, tRNA); molecular docking; virtual screening; multitarget approaches; ADMET prediction; similarity analysis; computational approaches applied to natural compounds and nutraceuticals
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Bioactive Compounds and Small Molecules with Neuroprotective and Anti-Inflammatory Functions
edited by
submission deadline 30 Sep 2026 | 10 articles | Viewed by 40262 | Submission Open
Keywords: bioactive foods; small molecules; neuroprotection; anti-inflammatory; inflammasome; neurodegeneration
(This special issue belongs to the Section Natural Products Chemistry)
Recent Advances in Chromatography for Pharmaceutical Analysis
edited by
submission deadline 30 Sep 2026 | 10 articles | Viewed by 25905 | Submission Open
Keywords: drug analysis of chemical and biological drugs; bioanalysis; natural products analysis; green chemistry; experimental design; artificial intelligence; metabolomics; stationary phase
(This special issue belongs to the Section Analytical Chemistry)
Recent Advances in the Toxicology and Safety of Medicinal Plants and Natural Products submission deadline 30 Sep 2026 | 6 articles | Viewed by 14437 | Submission Open
Keywords: toxicity of natural compounds and plant extracts; safety of natural products; drug development; in silico modeling; in vitro study; in vivo study
(This special issue belongs to the Section Natural Products Chemistry)
Featured Reviews in Organometallic Chemistry—Recent Trends and Developments
edited by
submission deadline 30 Sep 2026 | 3 articles | Viewed by 12544 | Submission Open
Keywords: organometallic chemistry; complexes; metals; metal–carbon bonding; main group metals; transition metals; lanthanides; catalysis; ligands; metal chemistry; phosphines; N-heterocyclic carbenes; bipyridines; homogeneous catalysis; cross coupling; bond activation; ancillary ligands; photoredox catalysis; asymmetric catalysis; crystallography; spectroscopy
(This special issue belongs to the Section Organometallic Chemistry)
Feature Papers in Organic Chemistry—Third Edition submission deadline 30 Sep 2026 | 9 articles | Viewed by 12231 | Submission Open
Keywords: organic synthesis; organic chemistry research; synthesis methods; theoretical study; reaction mechanisms; catalysis
(This special issue belongs to the Section Organic Chemistry)
Hypervalent Iodine Chemistry: Promise and Prospects
edited by
submission deadline 30 Sep 2026 | 2 articles | Viewed by 11564 | Submission Open
Keywords: hypervalent compound; iodine; new reagent and catalyst; new synthetic transformation; synthetic application; the hypervalent iodine-bearing hybrid molecule
(This special issue belongs to the Section Organic Chemistry)
Molecular Docking in Drug Discovery, 2nd Edition
edited by
submission deadline 30 Sep 2026 | 6 articles | Viewed by 11281 | Submission Open
Keywords: computer aided drug design; drug discovery; molecular docking; structure–activity relationships; drug design
(This special issue belongs to the Section Medicinal Chemistry)
Metal-Based Drugs: Past, Present and Future, 3rd Edition submission deadline 30 Sep 2026 | 7 articles | Viewed by 11118 | Submission Open
Keywords: metal-based drugs; synthesis; characterization; docking; biological activity; diagnosis; therapeutic tool
(This special issue belongs to the Section Chemical Biology)
Novel Heterocyclic Compounds: Synthesis and Applications
edited by and José Luis Viveros-Ceballos
submission deadline 30 Sep 2026 | 6 articles | Viewed by 9651 | Submission Open
Keywords: heterocyclic compounds; synthetic methodologies; medicinal chemistry; bioactive molecules; pharmaceutical applications; catalysis in heterocycle synthesis; green chemistry approaches; structure–activity relationships (SARs); organic synthesis; agrochemical applications
(This special issue belongs to the Section Organic Chemistry)
Bioactive Compounds from Plants: Identification, Characterization, and Pharmacological Activity submission deadline 30 Sep 2026 | 11 articles | Viewed by 8717 | Submission Open
Keywords: antioxidants; medicinal plants; bioactive compounds; phytochemicals; peptides; chemical characterization; bioavailability; biological activities; functional properties; mechanisms of action; therapeutic potential; pharmacological properties
(This special issue belongs to the Section Natural Products Chemistry)
Bioactive Natural Products and Derivatives
edited by Xiaoxiao Huang and
submission deadline 30 Sep 2026 | 6 articles | Viewed by 7335 | Submission Open
Keywords: new natural product discovery; natural product derivatives; bioactivities and mechanisms of action of natural products; application; new methods and technologies
(This special issue belongs to the Section Bioorganic Chemistry)
The Application of LC-MS in Pharmaceutical Analysis—2nd Edition
edited by Wing Lam and
submission deadline 30 Sep 2026 | 7 articles | Viewed by 7196 | Submission Open
Keywords: LC–MS; chemical characterization; metabolite identification; metabolomics; pharmacokinetics
(This special issue belongs to the Section Analytical Chemistry)
Discovery and Development of Anti-Cancer Drugs: From Signalling Pathways to Molecular Mechanisms submission deadline 30 Sep 2026 | 3 articles | Viewed by 6773 | 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)
Chemical Biology in Europe submission deadline 30 Sep 2026 | 6 articles | Viewed by 6316 | Submission Open
Keywords: chemical probes; bioorthogonal chemistry; chemical proteomics; target identification; probe-based visualization; PTM detection
(This special issue belongs to the Section Chemical Biology)
Research on Changes in Nutritional Components and Structure During Food Processing
edited by , Wei Qin and Natthawuddhi Donlao
submission deadline 30 Sep 2026 | 2 articles | Viewed by 5861 | Submission Open
Keywords: food structure; nutritional components; bioactive compounds; food processing; phytochemicals; health benefits
(This special issue belongs to the Section Food Chemistry)
Natural Compounds in Modern Therapies, 3rd Edition submission deadline 30 Sep 2026 | 6 articles | Viewed by 5603 | Submission Open
Keywords: natural compounds; plant extract; anti-cancer activity; antimicrobial activity; antifungal activity; antiviral activity; anti-inflammatory activity; synergistic effect; chronic disorders; age-related disorders; metabolic syndrome; nutraceuticals
(This special issue belongs to the Section Natural Products Chemistry)
Lignocellulosic Materials, 2nd Edition
edited by and
submission deadline 30 Sep 2026 | 2 articles | Viewed by 5534 | Submission Open
Keywords: biomass valorization; biopolymers; lignocellulose; green chemistry; bio-based materials; environmental remediation
(This special issue belongs to the Section Materials Chemistry)
Recent Experimental and Theoretical Advances of Corrosion Protection
edited by , Miguel Castro, Guillermo E. Negrón-Silva and
submission deadline 30 Sep 2026 | 2 articles | Viewed by 5382 | Submission Open
Keywords: electrochemical techniques; synthesis of corrosion inhibitors; molecular dynamics; quantum theoretical modelling; coatings
(This special issue belongs to the Section Electrochemistry)
Recent Advances in Food Analysis, 2nd Edition submission deadline 30 Sep 2026 | 5 articles | Viewed by 5322 | Submission Open
Keywords: food; contaminants; bioactive compounds; chromatography; detection; analytical techniques; analysis
(This special issue belongs to the Section Analytical Chemistry)
Advanced Removal of Emerging Pollutants and Its Mechanism
edited by , and Dorin Bombos
submission deadline 30 Sep 2026 | 3 articles | Viewed by 5244 | Submission Open
Keywords: emerging contaminants; adsorption interactions; microbial biodegradation; pollutant removal efficiency; innovative technologies
(This special issue belongs to the Section Green Chemistry)
Biobased Functional Materials for Sustainable Food Packaging and Preservation submission deadline 30 Sep 2026 | 6 articles | Viewed by 5180 | Submission Open
Keywords: edible films; active packaging; intelligent packaging; edible coatings; sustainable packaging; food quality
(This special issue belongs to the Section Food Chemistry)
Analytical Technologies and Intelligent Applications in Future Food
edited by , Chunhuan Liu, Shipeng Yin and Xiuhang Chai
submission deadline 30 Sep 2026 | 2 articles | Viewed by 4874 | Submission Open
Keywords: artificial intelligence (AI) in food chemistry; machine learning for food analysis; intelligent sensing systems for food; food quality, safety, and authenticity; non-targeted screening in food; detection of food adulteration and contaminants; big data analytics in food science; smart food processing and quality control
(This special issue belongs to the Section Food Chemistry)
Nanomaterials and Nanocomposites: Synthesis, Characterization and Applications in Environmental and Biomedical Sciences submission deadline 30 Sep 2026 | 3 articles | Viewed by 4703 | Submission Open
Keywords: nanomaterials; diagnostics; therapy; anticancer; antimicrobial; adsorption; photocatalysis; sensor
(This special issue belongs to the Section Nanochemistry)
Natural Bioactives for Health: Therapeutic Promise and Safety Considerations submission deadline 30 Sep 2026 | 3 articles | Viewed by 4564 | Submission Open
Keywords: natural bioactive compounds; drug discovery and development; pharmacological activities; toxicological evaluation; analytical and screening methods; human health
Deep Eutectic Solvents: Design, Characterization, and Applications submission deadline 30 Sep 2026 | 4 articles | Viewed by 4028 | Submission Open
Keywords: deep eutectic solvents; solubility enhancement; hydrogen bonding interactions; computational chemistry; thermodynamic modeling; gas capture (CO2, SO2, HCl); pharmaceutical solubilization; structure–property relationships
(This special issue belongs to the Section Applied Chemistry)
Advanced Photocatalysts for Environmental Remediation and Contaminant Removal
edited by
submission deadline 30 Sep 2026 | 2 articles | Viewed by 3913 | Submission Open
Keywords: nonbiodegradable organic contaminants; antibiotic contaminants; dye contaminants; pesticide pollutants; photocatalytic degradation; advanced photocatalysts; oxidic radicals; degradation pathways; degradation mechanism; photophysical property; photochemical property
(This special issue belongs to the Section Applied Chemistry)
Bioengineered Peptides and Proteins as Potential Therapeutic Agents
edited by Rigini M. Papi
submission deadline 30 Sep 2026 | 2 articles | Viewed by 3768 | Submission Open
Keywords: bioengineered peptides & proteins; therapeutic agents; synthetic biology; structure-function prediction; protein engineering; protein scaffolds; drug design; regenerative medicine
(This special issue belongs to the Section Bioorganic Chemistry)
Sustainable Chemistry with Ionic Liquids and Deep Eutectic Solvents: From Fundamentals to Applications
edited by
submission deadline 30 Sep 2026 | 3 articles | Viewed by 3541 | Submission Open
Keywords: ionic liquids; deep eutectic solvents; green chemistry; sustainable solvents; electrolytes; catalysis; electrochemistry; biomass; extraction
(This special issue belongs to the Section Molecular Liquids)
Molecular Magnetic Response and Aromaticity
edited by
submission deadline 30 Sep 2026 | 1 articles | Viewed by 3432 | Submission Open
Keywords: aromaticity; magnetic response calculations; magnetic shielding; magnetically induced current densities.
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Advanced Vibrational Spectroscopy
edited by Ke Lin
submission deadline 30 Sep 2026 | 3 articles | Viewed by 3307 | Submission Open
Keywords: vibrational spectroscopy; molecular structure; molecular interaction; probe; excess spectroscopy; difference spectroscopy; ratio spectroscopy; multivariate curve resolution; two-dimensional correlation spectroscopy; Raman spectroscopy; infrared spectroscopy
(This special issue belongs to the Section Analytical Chemistry)
Novel Nanomaterials for Pollution Control and Environmental Remediation submission deadline 30 Sep 2026 | 2 articles | Viewed by 3266 | 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)
Recent Research Progress of Novel Ion Adsorbents—2nd Edition submission deadline 30 Sep 2026 | 5 articles | Viewed by 3239 | Submission Open
Keywords: synthesis of adsorbents; adsorbents regeneration; ionic adsorbates; purification of water; removal of impurities; adsorption mechanisms; desorption; equilibrium data; adsorption isotherms; kinetic models
(This special issue belongs to the Section Physical Chemistry)
Molecules Targeting the Human Microbiome: Natural Products, Metabolites and Mechanisms submission deadline 30 Sep 2026 | 2 articles | Viewed by 2997 | Submission Open
Keywords: human microbiome; microbial metabolites; bioactive molecules; microbiomes
Advances in Emerging Photovoltaic: From Materials and Devices to Modules
edited by
submission deadline 30 Sep 2026 | 3 articles | Viewed by 2825 | Submission Open
Keywords: design and synthesis of photovoltaic materials; perovskite photovoltaics; organic photovoltaics; quantum dot solar cells; scalability and stability
(This special issue belongs to the Section Materials Chemistry)
Featured Review Papers in Applied Chemistry
edited by
submission deadline 30 Sep 2026 | 1 articles | Viewed by 2818 | 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
Recent Advances in Synthesis of Antiviral Compounds
edited by and Francesco Saccoliti
submission deadline 30 Sep 2026 | 2 articles | Viewed by 2783 | Submission Open
Keywords: antiviral; drug design; medicinal chemistry; antiviral small molecules; synthesis; synthetic drugs; antimicrobial
(This special issue belongs to the Section Organic Chemistry)
Epoxy Resin Synthesis, Performance and Application Research: Second Edition
edited by
submission deadline 30 Sep 2026 | 3 articles | Viewed by 2764 | Submission Open
Keywords: synthesis, modification, and characterization; curing kinetics and mechanism; epoxy-based nanocomposites; interface characteristics; advanced hardeners, modifiers, and accelerators; thermal, mechanical, and dielectric properties; applications; quantum chemical calculations; molecular design
(This special issue belongs to the Section Macromolecular Chemistry)
Analysis and Biological Evaluation of Bioactive Compounds from Natural Sources, 3rd Edition
edited by and Rosanna Avola
submission deadline 30 Sep 2026 | 3 articles | Viewed by 2638 | Submission Open
Keywords: natural products; natural product chemistry; polyphenols; vegetable extract profiling; herbal medicine; phytochemicals; biological applications of natural products; mechanism of action
(This special issue belongs to the Section Natural Products Chemistry)
Nitrogen-Containing Heterocyclic Compounds in Drug Design: Synthesis, Characterization, and Biological Activity submission deadline 30 Sep 2026 | 4 articles | Viewed by 2619 | Submission Open
Keywords: nitrogen heterocycles; synthesis; structure; biological activity; drug development; drug candidates; in silico research; computer-aided drug design; medicinal chemistry
(This special issue belongs to the Section Medicinal Chemistry)
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