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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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Natural Products: Extraction, Analysis and Biological Activities

edited by

Dorota Wianowska

and Łukasz Paprotny

submission deadline 30 Apr 2026 | 5 articles | Viewed by 7028 | Submission Open

Keywords: plant products; secondary metabolites; extraction; analysis; quality of natural products; biological activity; health-promoting properties; agricultural waste

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

Therapeutic Agents for Neurodegenerative Disorders—2nd Edition

edited by

Andrea Kwakowsky

submission deadline 30 Apr 2026 | 4 articles | Viewed by 6774 | Submission Open

Keywords: beta amyloid; tau; alpha-synuclein; huntingtin; autophagy; neuromodulators; neurotrophins; natural compounds; neuroinflammation; vascular dysfunction; neuronal death; drug development; therapeutic biomarkers; blood– brain barrier; small-molecule therapeutics; theranostics

(This special issue belongs to the Section Medicinal Chemistry)

Materials for Emerging Electrochemical Devices—2nd Edition

edited by

Maria Manuela Silva

submission deadline 30 Apr 2026 | 4 articles | Viewed by 6421 | Submission Open

Keywords: solid-state devices; batteries; electrochromic devices; smart windows; electrochemical devices

(This special issue belongs to the Section Materials Chemistry)

Volatile Natural Products: Extraction, Characterization and Application

edited by

Hsin-Chun Chen

submission deadline 30 Apr 2026 | 4 articles | Viewed by 4969 | 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)

Green and Environmentally Friendly Visible-Light- and Transition Metal-Catalyzed Synthesis

edited by

Bogdan Štefane

submission deadline 30 Apr 2026 | 2 articles | Viewed by 4606 | 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)

The Anticancer Drugs: A New Perspective

edited by

Tânia S. Morais

and

Nuno Xavier

submission deadline 30 Apr 2026 | 3 articles | Viewed by 4161 | Submission Open

Keywords: anticancer therapy; targeted therapy; drug design; drug discovery; drug synthesis; nanotechnology

(This special issue belongs to the Section Medicinal Chemistry)

Recent Advances in Porous Materials, 2nd Edition

edited by

Xinhua Qi

submission deadline 30 Apr 2026 | 4 articles | Viewed by 3910 | Submission Open

Keywords: porous carbon; adsorption; catalysis; supercapacitor; biomass; energy storage; zeolite; fuel cell; molecular sieves; metal– organic frameworks; porous metal oxide; mesoporous silicon; macroporous resin; aerogel; separation; porous composites; covalent organic frameworks

(This special issue belongs to the Section Materials Chemistry)

Exploring Bioactive Compounds in Foods and Nutrients for Human Health

edited by

Denise Mafra

and

Livia Alvarenga

submission deadline 30 Apr 2026 | 3 articles | Viewed by 3825 | Submission Open

Keywords: chronic non-communicable diseases; bioactive compounds; nutrients; human health

Advances in Computational Spectroscopy, 2nd Edition

edited by

Magdalena Sałdyka

and Małgorzata Biczysko

submission deadline 30 Apr 2026 | 4 articles | Viewed by 3714 | Submission Open

Keywords: spectroscopy; computational spectroscopy in inorganic chemistry; computational spectroscopy in bioinorganic chemistry; computational spectroscopy in biological systems; molecular and supramolecular structure; crystal structure; molecular modelling; time-independent and time-dependent approaches; molecular dynamics; density functional theory (DFT); time-dependent DFT (TD-DFT); coupled cluster (CC) approaches and composite schemes; bottom-up and top-down semi-experimental approaches

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

Recent Advances in Transition Metal Catalysis, 2nd Edition

edited by Dingyi Wang

submission deadline 30 Apr 2026 | 3 articles | Viewed by 3668 | Submission Open

Keywords: transition metal catalysis; photocatalysis; electrosynthesis; organic synthesis; asymmetric synthesis; C-H functionalization; C-C functionalization; C-X functionalization

(This special issue belongs to the Section Organic Chemistry)

Catalytic Materials for Energy and Environment: Preparation, Properties and Applications

edited by

Ana Paula Da Costa Ribeiro

and Yanfei Xu

submission deadline 30 Apr 2026 | 1 articles | Viewed by 3207 | Submission Open

Keywords: biomass conversion; CO2 hydrogenation; plastic degradation; alkane dehydrogenation; syngas conversion; methane reforming; catalysts for energy and environment; catalytic mechanism

(This special issue belongs to the Section Materials Chemistry)

Advance in Radiochemistry, 2nd Edition

edited by

Chang-Tong Yang

submission deadline 30 Apr 2026 | 3 articles | Viewed by 2701 | Submission Open

Keywords: radiochemistry; radionuclide (radioisotopes); radiolabeling; radiopharmaceutical (radiotracer); nuclear medicine; theranostics (diagnostics and therapeutics); molecular imaging

(This special issue belongs to the Section Medicinal Chemistry)

Chemical Analysis of Pollutant in the Environment

edited by

Ewa Szpyrka

and

Mohammad Russel

submission deadline 30 Apr 2026 | 4 articles | Viewed by 2609 | 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)

Innovative Approaches to Sustainable Wastewater Treatment—Recent Developments in Hazardous Pollutants Removal

edited by

Anna Wołowicz

and

Monika Wawrzkiewicz

submission deadline 30 Apr 2026 | 3 articles | Viewed by 2598 | Submission Open

Keywords: wastewater treatment; industrial wastewater; physical methods; chemical methods; biological methods; emerging micropollution; dyes; heavy metals; removal; (bio)sorbent; ion exchange resin

(This special issue belongs to the Section Green Chemistry)

Advanced Functional Membrane Materials: Fabrication and Applications

edited by

Heng Mao

submission deadline 30 Apr 2026 | 1 articles | Viewed by 2456 | Submission Open

Keywords: functional membrane material; nanochemistry; polymeric synthesis; molecular design; synthesis method; material processing; catalysis and separation

(This special issue belongs to the Section Applied Chemistry)

Back to Nature: Pharmacological Activities of Phytochemicals Isolated from Medicinal Plants

edited by

Arik Dahan

and Ludmila Yarmolinsky

submission deadline 30 Apr 2026 | 2 articles | Viewed by 2005 | Submission Open

Keywords: medicinal plant; pharmacological activity; phytochemical; disease; drug; therapeutic; polyphenol; terpene; carotenoid; saponin; alkaloid; thiophene; sugar; fatty oil; resin; phytosterol; protein; peptide; anti-inflammatory; antidiabetic; neuroprotective; anticancer; antioxidative; antimicrobial; antiviral; antifungal

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

Supramolecular Host/Guest Compounds and Their Prospects for Multifunctional Materials

edited by Angela Danil De Namor and Nawal Al Hakawati

submission deadline 30 Apr 2026 | 1 articles | Viewed by 1957 | Submission Open

Keywords: supramolecular chemistry; host-guest chemistry; macrocycles and cages; self-assembly; supramolecular materials

(This special issue belongs to the Section Macromolecular Chemistry)

Chemical Biology in Asia—Second Edition

edited by

Yujun Zhao

and

Li Wu

submission deadline 30 Apr 2026 | 1 articles | Viewed by 1888 | 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

edited by

Daniel Pereira Bezerra

submission deadline 30 Apr 2026 | 2 articles | Viewed by 1886 | Submission Open

Keywords: natural products; drug discovery; pharmacological activity; biological activity; new compounds

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

Bee Product Chemistry: Identification and Characterization of Natural Compounds, 2nd Edition

edited by

Simona Sagona

submission deadline 30 Apr 2026 | 2 articles | Viewed by 1698 | Submission Open

Keywords: honey; wax; bee pollen; venom; propolis; royal jelly; bee larvae

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

Design and Synthesis of Novel Adsorbents for Pollutant Removal, 2nd Edition

edited by

Inna V. Melnyk

submission deadline 30 Apr 2026 | 2 articles | Viewed by 1197 | Submission Open

Keywords: wastewater treatment; adsorbents; sustainable materials; adsorption mechanisms; surface chemistry; selective adsorption

(This special issue belongs to the Section Physical Chemistry)

A Themed Issue in Honor of the 20th Anniversary of the Mexican Academy of Organic Chemistry (AMQO)

edited by Ivan Romero-Estudillo,

Mario Orodnez

, Alicia Boto and

David Chávez-Flores

submission deadline 30 Apr 2026 | 1 articles | Viewed by 1174 | Submission Open

Keywords: organic chemistry; chemistry process; chemistry; chemical science; science in Mexico

(This special issue belongs to the Section Organic Chemistry)

Recent Advances in Extraction Techniques for Elemental Analysis

edited by Ricardo Cassella

submission deadline 30 Apr 2026 | 2 articles | Viewed by 1161 | Submission Open

Keywords: sample preparation; microextraction; liquid— liquid extraction; solid-phase extraction; elemental analysis

(This special issue belongs to the Section Analytical Chemistry)

Ligand-Based Design and Optimization of Antibacterial Agents: From Structure to Activity

edited by

Cleydson Breno Rodrigues dos Santos

submission deadline 30 Apr 2026 | 1 articles | Viewed by 1077 | Submission Open

Keywords: ligand-based drug design (LBDD); antibacterial agents; quantitative structure– activity relationship (QSAR); pharmacophore modeling; virtual screening; cheminformatics; molecular optimization

(This special issue belongs to the Section Medicinal Chemistry)

Exploring Phytochemicals: Their Structure, Biological Activities and Health-Promoting Effects

edited by

Elizabeth Opara

and Samireh Jorfi

submission deadline 30 Apr 2026 | 1 articles | Viewed by 1069 | Submission Open

Keywords: phytochemicals; medicinal/culinary plants; bioactive properties; health benefits

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

Chemical Analysis of Organic Contaminants and Microplastics

edited by

João Pinto da Costa

and

Teresa A. P. Rocha-Santos

submission deadline 30 Apr 2026 | 1 articles | Viewed by 1056 | Submission Open

Keywords: environment and food; instrumentation; plastic– organic contaminants interactions; life-cycle assessment; (eco)toxicity

(This special issue belongs to the Section Analytical Chemistry)

Synthesis, Bioactivity and Structure–Activity Relationship of Natural Products and Their Derivatives

edited by Jelena R. Đorović Jovanović and

Jelena S. Katanic Stankovic

submission deadline 30 Apr 2026 | 1 articles | Viewed by 864 | Submission Open

Keywords: natural products; structure– activity relationship (SAR); semi-synthetic derivatives; bioactivity; drug discovery; therapeutic potential; pharmaceutical innovation; bioactive compound modification

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

Pharmacological Bioassays of Secondary Metabolites of Medicinal Plants

edited by

José L. Martínez

and

Luigi Milella

submission deadline 30 Apr 2026 | 1 articles | Viewed by 704 | Submission Open

Keywords: pharmacology of medicinal plants; pharmacology of natural products; medicinal plants; mechanisms of action (cardiovascular; nervous system; digestive; etc.); active principles in diseases (Parkinson's; cancer; ulcers; etc.); isolation and bioassays of medicinal plant extracts

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

Advancements in Enzyme Immobilization Techniques

edited by

Benevides C. Pessela

and

Gloria Fernandez-Lorente

submission deadline 30 Apr 2026 | Viewed by 702 | Submission Open

Keywords: enzyme immobilization; biocatalysis; enzyme stabilization; reusability/recyclability; activity retention; operational stability; mass transfer limitation

(This special issue belongs to the Section Applied Chemistry)

Functional Nanomaterials in Green Chemistry: Catalysis and Environmental Remediation

edited by

Carlos Bruno Barreto Luna

Zhaohui Liu

and Ingridy Dayane dos Santos Silva

submission deadline 30 Apr 2026 | 1 articles | Viewed by 698 | Submission Open

Keywords: functional nanomaterials; green chemistry; nanocatalysis; environmental catalysts; environmental remediation; biomass conversion; heterogeneous catalysis

(This special issue belongs to the Section Green Chemistry)

Innovative Strategies for the Extraction, Processing, and Encapsulation of Food Bioactive Compounds

edited by

Adem Gharsallaoui

submission deadline 30 Apr 2026 | 1 articles | Viewed by 698 | Submission Open

Keywords: bioactive compounds; extraction techniques; green and sustainable approaches; processing technologies; encapsulation systems; stability and bioavailability; food chemistry and nanotechnology; functional food applications

(This special issue belongs to the Section Food Chemistry)

Solid Waste and Fly Ash Chemical Treatment Methods—2nd Edition

edited by

Lu Dong

Xinye Wang

and Huimin Liu

submission deadline 30 Apr 2026 | 1 articles | Viewed by 571 | 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)

Natural Products Chemistry in Asia

edited by

Shao-Hua Wang

and

Wenhan Lin

submission deadline 30 Apr 2026 | 1 articles | Viewed by 477 | Submission Open

Keywords: isolation protocol; structure elucidation; synthesis; biosynthesis; bioactivity; chemical ecology

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

Novel Catalysts for Asymmetric Synthesis

edited by

Renata Siedlecka

Mariola Zielińska-Błajet

and

Alejandro Baeza Carratalá

submission deadline 30 Apr 2026 | Viewed by 440 | Submission Open

Keywords: chiral ligands; organometallic complexes; organocatalysts; enantioselectivity; asymmetric induction; catalysis

(This special issue belongs to the Section Organic Chemistry)

Synthesis of Bioactive Compounds: Spectroscopic, Crystallographic and Computational Studies

edited by

Juan Castillo

and Diana Becerra Córdoba

submission deadline 30 Apr 2026 | Viewed by 437 | 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)

C-H Bond Functionalization of Heterocyclic Compounds

edited by

Dong Wang

submission deadline 30 Apr 2026 | Viewed by 395 | Submission Open

Keywords: heterocycles; C-H activation; transition metal catalysis; site-selectivity; sustainable synthesis; photoredox chemistry; electrochemical functionalization; biologically active molecules

(This special issue belongs to the Section Organic Chemistry)

Conjugated Polymer-Based Materials: Synthesis, Characterization, and Applications

edited by

Bruno Schmaltz

and Nicolas Berton

submission deadline 30 Apr 2026 | Viewed by 393 | Submission Open

Keywords: conjugated polymers; synthesis; characterization; functional π -conjugated materials; conducting materials; organic electronics; organic electrode materials

(This special issue belongs to the Section Materials Chemistry)

Metal–Halide Perovskites for Solar Cell and LED Materials

edited by

René M. Williams

submission deadline 30 Apr 2026 | Viewed by 355 | 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)

Advanced Nanomaterials for Electrocatalysis

edited by

Flávio Colmati

submission deadline 30 Apr 2026 | Viewed by 298 | Submission Open

Keywords: water spitting; HER; OER; AOP; fuel cell; alcohol oxidation; energy conversion; electrocatalysis

(This special issue belongs to the Section Cross-Field Chemistry)

Advances in Modeling and Simulation of Biomolecules

edited by

Haiyang Zhang

submission deadline 30 Apr 2026 | Viewed by 276 | Submission Open

Keywords: molecular dynamics simulations; model parameterization; protein structure and function; protein– ligand interactions; computer-aided drug design; biomolecular association and assembly

(This special issue belongs to the Section Physical Chemistry)

Chemical Design of Nanocomposite Materials for Enhanced Electrochemical Performance

edited by

Panpan Dong

and Xingxing Jiao

submission deadline 30 Apr 2026 | Viewed by 225 | Submission Open

Keywords: nanocomposite materials; electrochemical properties; lithium batteries; solid-state electrolytes; interfacial electrochemistry; ionic conductivity; electrode design; theoretical calculations

(This special issue belongs to the Section Electrochemistry)

Heterocyclic Compounds: Synthesis and Medicinal Chemistry Applications, 2nd Edition

edited by

Maria Novella Romanelli

submission deadline 30 Apr 2026 | Viewed by 224 | 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)

Foam and Emulsion Systems: Stability, Rheology, and Applications

edited by

Marcel Krzan

submission deadline 30 Apr 2026 | Viewed by 216 | Submission Open

Keywords: foams; emulsions; interfacial stability; rheology; soft matter; applications

Design, Synthesis and Biological Activity of Novel Antitumor Drugs, 2nd Edition

edited by

Alessia Bertamino

and

Tania Ciaglia

submission deadline 30 Apr 2026 | Viewed by 203 | Submission Open

Keywords: novel target; anticancer; small molecules; biological evaluation; synthesis; activity assay; molecular modeling

(This special issue belongs to the Section Medicinal Chemistry)

Hot Trends in Computational Drug Design

edited by

Agnieszka A. Kaczor

submission deadline 30 Apr 2026 | Viewed by 203 | 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

Research on Crystal Structures of Metal Complexes

edited by

Takashiro Akitsu

submission deadline 30 Apr 2026 | Viewed by 171 | Submission Open

Keywords: coordination chemistry; metal complexes; organic ligands; crystal structure analysis; structural chemistry

(This special issue belongs to the Section Inorganic Chemistry)

Novel Antiparasitic Molecules for Neglected Tropical Diseases

edited by

Carlos Monteiro

submission deadline 30 Apr 2026 | Viewed by 170 | 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)

Molecular Dynamics Simulations: Applications and Advances

edited by

Viorel Chihaia

and Godehard Sutmann

submission deadline 30 Apr 2026 | Viewed by 128 | 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)

Radiochemistry: Present Status and Future Perspectives

edited by Gregory P. Holmbeck and

Travis S. Grimes

submission deadline 30 Apr 2026 | Viewed by 122 | Submission Open

Keywords: actinides; isotope production; nuclear energy; nuclear medicine; radioisotopes; radiolysis; separations; waste management

(This special issue belongs to the Section Medicinal Chemistry)

Catalysis for Drug Discovery

edited by

Deyun Qian

submission deadline 30 Apr 2026 | Viewed by 114 | Submission Open

Keywords: organic synthesis; metal catalysis; organocatalysis; asymmetric catalysis; photocatalysis; electrocatalysis; drug discovery

(This special issue belongs to the Section Organic Chemistry)

Displaying special issue 701-750 on page 15 of 22.

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