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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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Cross-Coupling Strategies for the Synthesis of Functionalized Organic Compounds

edited by Xiaobo Pang and Han-jun Ai

submission deadline 31 Aug 2026 | 1 articles | Viewed by 964 | Submission Open

Keywords: cross-coupling; transition metal catalysis; palladium catalysis; copper catalysis; nickel catalysis; C– N bond formation; C– C bond formation; photoredox; electrochemistry; organic synthesis; functionalized molecules; catalytic mechanisms; green chemistry

(This special issue belongs to the Section Organic Chemistry)

Molecular Strategies for the Synthesis of Drug-Like Bioactives

edited by

Beatrice Severino

and

Antonia Scognamiglio

submission deadline 31 Aug 2026 | Viewed by 243 | Submission Open

Keywords: drug-like bioactives; synthetic methodologies; green chemistry; multitarget ligands; PROTACs; molecular glues; biocatalysis; scaffold design; late-stage functionalization

(This special issue belongs to the Section Medicinal Chemistry)

Isolation and Structure Determination of Bioactive Natural Products, Third Edition

edited by

Aleksandra Szydłowska-Czerniak

submission deadline 31 Aug 2026 | Viewed by 172 | 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)

Next-Generation Deep Eutectic Solvents for Sustainable Synthesis and Electrochemical Application

edited by

Maiyong Zhu

submission deadline 31 Aug 2026 | Viewed by 146 | 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)

Natural and Synthetic Bioactive Compounds in Food—Risks and Benefits

edited by

Andreas Eisenreich

submission deadline 31 Aug 2026 | Viewed by 124 | Submission Open

Keywords: bioactive compounds; health; safety; effects; toxicology; biology; food; feed

(This special issue belongs to the Section Medicinal Chemistry)

Surface Modification of Materials and Their Applications

edited by

Yi Zhang

submission deadline 31 Aug 2026 | Viewed by 98 | Submission Open

Keywords: chemical functionalization; surface modification; catalysis; biotechnology; advanced manufacturing; environment

(This special issue belongs to the Section Materials Chemistry)

Natural Products and Their Derivatives with Applications in Health and Diseases

edited by

Jih-Jung Chen

and

Sin-Min Li

submission deadline 31 Aug 2026 | Viewed by 90 | Submission Open

Keywords: natural products; medicinal plants; bioactive compounds; biological activity; mechanism of action; drug development; dietary supplements; healthy food

(This special issue belongs to the Section Natural Products Chemistry)

Antioxidant Properties of Bioactive Compounds from Plants

edited by

Dimitra Hadjipavlou-Litina

Ioannis Fotopoulos

and

Olga Tsiftsoglou

submission deadline 31 Aug 2026 | Viewed by 63 | Submission Open

Keywords: reactive oxidant species; antioxidant protocols; antioxidant compounds; factors of influence; diseases

(This special issue belongs to the Section Natural Products Chemistry)

Catalytic Materials from Wastes for Environmental Pollution Control

edited by

Jorge Sambeth

, Maria Victoria Gallegos and Franco Dubois

submission deadline 31 Aug 2026 | Viewed by 55 | Submission Open

Keywords: waste valorization; heterogeneous catalysis; environmental remediation; circular economy; sustainable energy

(This special issue belongs to the Section Materials Chemistry)

Recent Advances in Nucleic-Acid Based Drugs Development

edited by

Daniela Perrone

Maria Luisa Navacchia

and

Elena Marchesi

submission deadline 31 Aug 2026 | Viewed by 55 | Submission Open

Keywords: nucleic acids; oligonucleotide synthesis; modified nucleic acids; therapeutic applications; gene expression regulation; precision medicine; undruggable target

(This special issue belongs to the Section Medicinal Chemistry)

Advances in Targeted Delivery of Nanomedicines, 2nd Edition

edited by

Sreejesh Sreedharan

submission deadline 31 Aug 2026 | Viewed by 53 | Submission Open

Keywords: nanomedicines; drug delivery; target delivery; nanoscience; cancer signaling

(This special issue belongs to the Section Medicinal Chemistry)

Exploring Agri-Food By-Products: From Novel Extraction to Bioactive Properties

edited by

Branimir Pavlic

submission deadline 31 Aug 2026 | Viewed by 45 | Submission Open

Keywords: agri-food by-products; bioactive compounds; novel extraction methods; phytochemicals; antioxidant properties

(This special issue belongs to the Section Food Chemistry)

New Sights in Stereoselective Synthesis

edited by

Maurizio Benaglia

Fabrizio Medici

and Francesca Franco

submission deadline 31 Aug 2026 | Viewed by 43 | 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)

Self-Assembly in Supramolecular Chemistry: From Fundamentals to Applications

edited by

Jiong Zhou

and Jiarui Wu

submission deadline 31 Aug 2026 | Viewed by 32 | Submission Open

Keywords: supramolecular self-assembly; macrocyclic hosts; stimuli-responsive systems; host– guest chemistry; functional materials; supramolecular chemistry

Metal Organic Frameworks (MOFs): Current Advances and Future Perspectives

edited by Bhausaheb Dhokale

submission deadline 31 Aug 2026 | Viewed by 27 | 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)

Antimicrobial Properties of Natural Products—Third Edition

edited by

Raphaël E. Duval

submission deadline 31 Aug 2026 | Viewed by 25 | Submission Open

Keywords: natural products; extracts; fractions; purified compounds; antimicrobial properties; bacteria; virus; fungi

(This special issue belongs to the Section Natural Products Chemistry)

Radiolabeled Nanoparticles: Molecular Design, Targeting, Therapy, and Imaging

edited by Yuichiro Kadonaga and

Kazuma Ogawa

submission deadline 31 Aug 2026 | Viewed by 23 | Submission Open

Keywords: synthesis of radiolabeled nanoparticles; biological evaluation of radiolabeled nanoparticles; theranostics; drug delivery; surface modification of nanoparticles; structural analysis; nuclear medicine; organic chemistry; inorganic chemistry

(This special issue belongs to the Section Nanochemistry)

Design, Synthesis, and Application of Functional Nanomaterials in Environmental Analysis and Agriculture Protection

edited by

Jiangjiang Gu

submission deadline 31 Aug 2026 | Viewed by 16 | 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)

Novel Strategies in Drug Discovery of Parasitic Diseases

edited by

Rafael Balana-Fouce

and

Celia Fernández-Rubio

submission deadline 31 Aug 2026 | Viewed by 14 | Submission Open

Keywords: parasitic diseases; drug discovery; antiparasitic agents; drug resistance; molecular targets; natural products; computational drug design; drug repurposing

(This special issue belongs to the Section Medicinal Chemistry)

Microwave and Ultrasound Technologies in Chemical Reactions

edited by

Qinglong Xie

submission deadline 31 Aug 2026 | Viewed by 9 | Submission Open

Keywords: microwave chemistry; sonochemistry; process intensification; reaction mechanisms; organic synthesis; synergistic effects; green chemistry

(This special issue belongs to the Section Green Chemistry)

Recent Advances in Lipid Peroxidation: Mechanisms and Inhibitors

edited by

Zijun Wu

submission deadline 31 Aug 2026 | Submission Open

Keywords: lipid autoxidation; peroxyl radical; redox biology; oxidative stress; antioxidant; ferroptosis

(This special issue belongs to the Section Medicinal Chemistry)

Advancing Next-Generation Technologies with MXenes, 2nd Edition

edited by Asif Shahzad and

Tej B. Limbu

submission deadline 31 Aug 2026 | 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)

Heterocyclic Compounds Against Cancer and Neurodegenerative Diseases

edited by

Elena Cichero

submission deadline 31 Aug 2026 | Submission Open

Keywords: cancer; neuroprotection; drug; modeling; drug design

(This special issue belongs to the Section Medicinal Chemistry)

Lipids and Surfactants in Drug Discovery, Development and Delivery Systems

edited by

Katarina Nikolić

and

Marija Popovic-Nikolic

submission deadline 31 Aug 2026 | 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)

Environmentally Friendly Technologies for Waste Processing and Recovery

edited by

Qingjun Guan

and Shuang Zhou

submission deadline 31 Aug 2026 | Submission Open

Keywords: green waste processing; resource recovery; industrial by-products; impurity removal; waste-to-resource conversion; sustainable materials; circular economy; environmentally friendly technologies

(This special issue belongs to the Section Green Chemistry)

30th Anniversary of Molecules—Recent Advances in Green Chemistry

edited by

M. Gilles Mailhot

submission deadline 31 Aug 2026 | Submission Open

Keywords: green catalysts; green extraction and processing; chemistry based on natural products; bio-based solvents with sub- and super-critical fluids; microwave and ultrasound; organic reaction in green solvents; bioconversion of biomass and sustainable biomaterials; creating fine chemicals and polymers from renewable resources; green nanotechnology; green analytical chemistry; green degradation process

(This special issue belongs to the Section Green Chemistry)

The Application of Nanomaterials in Drug Delivery

edited by

Maria Antònia Busquets

and

Anna Karewicz

submission deadline 31 Aug 2026 | Submission Open

Keywords: nanomaterials; drug delivery; nanocarrier synthesis; chemical functionalization; surface engineering; stimuli-responsive systems; supramolecular interactions; computational design

(This special issue belongs to the Section Applied Chemistry)

Advanced Adsorbent Materials for Environmental Applications

edited by

Angelo Fenti

and

Pasquale Iovino

submission deadline 31 Aug 2026 | 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)

Carbon-Based Electrochemical Materials for Energy Storage, 2nd Edition

edited by Huicong Xia

submission deadline 1 Sep 2026 | Viewed by 63 | Submission Open

Keywords: carbon-based nanomaterials; energy storage; batteries; supercapacitors; fuel cells; electrochemical reactions

(This special issue belongs to the Section Electrochemistry)

Protein–Ligand Interactions, 2nd Edition

edited by

Małgorzata Maciążek-Jurczyk

submission deadline 15 Sep 2026 | Viewed by 56 | Submission Open

Keywords: protein– ligand interactions; binding affinity; protein structure and function

(This special issue belongs to the Section Chemical Biology)

Computational Approaches: Drug Discovery and Design in Medicinal Chemistry and Bioinformatics, 4th Edition

edited by

Marco Tutone

Anna Maria Almerico

and

Giulia Culletta

submission deadline 16 Sep 2026 | Viewed by 261 | 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)

Metal Complexes for Optical and Electronics Applications

edited by

Paola Deplano

Flavia Artizzu

and

Luca Pilia

submission deadline 30 Sep 2026 | 9 articles | Viewed by 19214 | Submission Open

Keywords: coordination chemistry; metal complexes; transition metals; lanthanides; luminescence; nonlinear optics; photo-switching; conductivity

(This special issue belongs to the Section Applied Chemistry)

Novel Heterocyclic Compounds: Synthesis and Applications

edited by

Mario Orodnez

and José Luis Viveros-Ceballos

submission deadline 30 Sep 2026 | 2 articles | Viewed by 2746 | 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)

Design and Synthesis of Antiviral Drugs Targeting Enzymes of Emerging RNA Viruses

edited by

Angela Corona

and

Antonio Lupia

submission deadline 30 Sep 2026 | Viewed by 351 | Submission Open

Keywords: antivirals; RNA viruses; viral replication; drug design; enzyme inhibitors

(This special issue belongs to the Section Medicinal Chemistry)

Functional Adsorption Materials for Catalytic Degradation in Pollution Chemistry

edited by

Chirangano Mangwandi

submission deadline 30 Sep 2026 | Viewed by 280 | Submission Open

Keywords: adsorptive catalysis; pollutant degradation; functional meterials; environmental remediation; hybride adsorbents; water and air purification

(This special issue belongs to the Section Applied Chemistry)

Advances in Emerging Photovoltaic: From Materials and Devices to Modules

edited by

Guilong Cai

submission deadline 30 Sep 2026 | Viewed by 64 | 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)

Recent Research Progress of Novel Ion Adsorbents—2nd Edition

edited by

Elżbieta Grządka

and

Katarzyna Szymczyk

submission deadline 30 Sep 2026 | Viewed by 37 | 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)

Organic Synthesis and Medicinal Chemistry, Two Inseparable Partners: Recent Advances in Heterocyclic Chemistry, 2nd Edition

edited by

Graziella Tocco

submission deadline 30 Sep 2026 | Viewed by 33 | Submission Open

Keywords: organic chemistry methods; organic synthesis; medicinal chemistry; heterocycles; drug discovery; in silico drug design; biologically active compounds

(This special issue belongs to the Section Medicinal Chemistry)

Metal-Catalyzed Organic Transformations: Expanding Horizons in Synthetic Methodology—2nd Edition

edited by Chen Chen and

Haibo Ge

submission deadline 30 Sep 2026 | Viewed by 32 | Submission Open

Keywords: multicomponent reactions; transition metal catalysis; organometallic chemistry; electrosynthesis; photocatalysis; green organic synthesis; bioactive molecules

(This special issue belongs to the Section Organic Chemistry)

Structural Characteristics, Bioactivities and Mechanisms of Food-Derived Functional Compounds

edited by Juan Kan, Dan Chen and Chao Tang

submission deadline 30 Sep 2026 | Viewed by 20 | Submission Open

Keywords: food-derived bioactive compounds; structural characterization; structure– activity relationship; antioxidant activity; anti-inflammatory activity; antimicrobial mechanisms; functional foods; nutraceuticals; bioavailability; polysaccharides; polyphenols; peptides; flavonoids; carotenoids; biotransformation; molecular mechanisms

(This special issue belongs to the Section Food Chemistry)

Natural Compounds in Modern Therapies, 3rd Edition

edited by

Nina Rembiałkowska

and

Anna Choromańska

submission deadline 30 Sep 2026 | Viewed by 20 | 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)

Sustainable Chemistry with Ionic Liquids and Deep Eutectic Solvents: From Fundamentals to Applications

edited by

Iuliia Voroshylova

submission deadline 30 Sep 2026 | Viewed by 18 | 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)

Synthesis of Biologically Active Compounds as Potential Antitumor, Antimalarial and Antituberculosis Drugs

edited by

Sandra Gemma

and Anna Ramunno

submission deadline 30 Sep 2026 | Submission Open

Keywords: mycobacterium tuberculosis; non-tubercular mycobacteria; targeted anticancer therapy; Plasmodium falciparum; antimicrobial resistance; phenotypic screening; rational drug design; computational studies

(This special issue belongs to the Section Medicinal Chemistry)

Computational and Integrated Strategies for Natural-Product-Derived Antimicrobials

edited by

Pankaj Pandey

submission deadline 30 Sep 2026 | Submission Open

Keywords: natural products; antimicrobial discovery; computational strategies; molecular modeling; molecular dynamics; machine learning; chemoinformatics; structure– activity relationships

(This special issue belongs to the Section Computational and Theoretical Chemistry)

Application of Metabolomics for Food and Beverages Analysis, 2nd Edition

edited by

Marilena Dasenaki

submission deadline 30 Sep 2026 | Submission Open

Keywords: targeted and untargeted metabolomics; food and beverage quality and safety; food authenticity; chemical characterization of foods and beverages; metabolic profiling; metabolic fingerprinting; analytical methodologies; advanced chemometric techniques

(This special issue belongs to the Section Analytical Chemistry)

Protein Kinase Inhibitors: Progress, Challenges and New Horizons

edited by

Simona Rapposelli

submission deadline 30 Sep 2026 | Submission Open

Keywords: protein kinase inhibitors; lipid-kinase inhibitors; small-molecule drugs; heterocyclic compounds; allosteric inhibition; covalent inhibitors; medicinal chemistry

(This special issue belongs to the Section Medicinal Chemistry)

Chirality: The Molecular Key to Structure, Function and Future Materials

edited by Aras Kartouzian

submission deadline 30 Sep 2026 | Submission Open

Keywords: structure– function relations; chiroptical spectroscopy; natural products; enantioselective synthesis; molecular machines; origin of life; optically active materials

(This special issue belongs to the Section Materials Chemistry)

Lignocellulosic Biomass Utilization: From Waste to Value-Added Products

edited by

Encarnación Ruiz Ramos

and

Irene Gómez Cruz

submission deadline 1 Oct 2026 | Viewed by 93 | Submission Open

Keywords: lignocellulosic biomass; value-added products; biomaterials; biorefinery; circular economy; bioenergy; sustainable development goals; green chemistry

(This special issue belongs to the Section Green Chemistry)

Microfluidics: Applications for Analytical Purposes in Chemistry

edited by

Jiao Zhai

and

Yanwei Jia

submission deadline 15 Oct 2026 | Viewed by 18 | Submission Open

Keywords: microfluidics; chemical analysis; lab-on-a-chip; biosensing

(This special issue belongs to the Section Analytical Chemistry)

Recent Advances in Exploiting Ionic Liquids for Biocatalytic and Pharmaceutical Application

edited by

Amal A.M. Elgharbawy

and

Muhammad Moniruzzaman

submission deadline 31 Oct 2026 | 6 articles | Viewed by 17981 | Submission Open

Keywords: ionic liquids; nanomaterials; emulsions; biological activity; biocatalysis; active pharmaceutical ingredients; drug delivery; mechanism of action; toxicity; pharmaceuticals; enzymes

(This special issue belongs to the Section Molecular Liquids)

Displaying special issue 1051-1100 on page 22 of 23.

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