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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 Natural Product Compounds in Cancer Prevention and Therapy

edited by

Harinantenaina Liva Rakotondraibe

submission deadline 31 Dec 2025 | Viewed by 51 | Submission Open

Keywords: natural product; cytotoxic; bioactivity mechanism; cancer; drug discovery; drug delivery; chemoprevention

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

Design and Application Based on Versatile Nano-Composites: Second Edition

edited by

Jingang Yu

submission deadline 31 Dec 2025 | Viewed by 43 | Submission Open

Keywords: nanoparticles; nanosheets; composites; preparation; application

(This special issue belongs to the Section Nanochemistry)

Exploring Heterocyclic Compounds: Design, Synthesis and Medicinal Chemistry Applications

edited by

Renzo Luisi

Smaranda Oniga

and

Philipp Natho

submission deadline 31 Dec 2025 | Viewed by 43 | Submission Open

Keywords: heterocyclic compounds; medicinal chemistry; drug design; synthetic methodologies; structure– activity relationships (SARs); computational chemistry

(This special issue belongs to the Section Organic Chemistry)

Heavy Metal Pollutants in Water, Wastewater and Sediments: From Occurrence and Determination to Removal and Recovery

edited by

Maciej Thomas

Krzysztof Barbusiński

and

Tomáš Bakalár

submission deadline 31 Dec 2025 | Viewed by 42 | Submission Open

Keywords: heavy metals; analytical methods; wastewater; sludge; recycling; green chemistry; circular economy; sustainable development

(This special issue belongs to the Section Green Chemistry)

Epoxy Resin Synthesis, Performance and Application Research: Second Edition

edited by

Jin Li

submission deadline 31 Dec 2025 | Viewed by 41 | 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)

Fluorescent Molecular Tools for Brain-Wide Neuroscience Research

edited by Sheng Xie

submission deadline 31 Dec 2025 | Viewed by 36 | Submission Open

Keywords: histochemical method; fluorescent probes; brain-wide 3D imaging; neuropathology; immunofluorescence labeling; transgenic labeling; small-fluorophore labeling; metallophilic labeling; virus-based labeling

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

Synthesis and Characterization of Heterocycles with Potential Applications

edited by

Maria João Queiroz

submission deadline 31 Dec 2025 | Viewed by 36 | Submission Open

Keywords: heterocycles; synthesis; design; characterization; green methods; applications

(This special issue belongs to the Section Organic Chemistry)

Antimicrobial Peptide Assemblies

edited by

Wen Li

submission deadline 31 Dec 2025 | Viewed by 33 | Submission Open

Keywords: peptides; peptide hybrids; peptide conjugates; self-assembly; stimuli-responsiveness; antimicrobial activity

(This special issue belongs to the Section Chemical Biology)

Exploring the Nanomaterials in Electrochemical Sensor: From Design to Application

edited by Hongbo Li and

Songbai Zhang

submission deadline 31 Dec 2025 | Viewed by 31 | Submission Open

Keywords: nanomaterials; metal– organic frameworks; quantum dots; covalent– organic frameworks; polymers; organic– inorganic nanocomposites; electrochemical sensors

(This special issue belongs to the Section Materials Chemistry)

Functional Materials for Small Molecule Electrocatalysis

edited by

Feng Hu

, Linlin Li and Qingxue Lai

submission deadline 31 Dec 2025 | Viewed by 30 | Submission Open

Keywords: electrocatalysis; nanomaterials; electrochemical conversion of H2O; CO2 and N2

(This special issue belongs to the Section Nanochemistry)

Current Development Prospects of Novel Nanocatalysts

edited by Fengyu Gao

submission deadline 31 Dec 2025 | Viewed by 30 | Submission Open

Keywords: novel nanocatalysts; pollutant purification; environmental catalysis technology; precious metals; metal/alloys; metal oxides; non-metallic materials; environmental protection; gas purification; wastewater treatment; soil remediation; solid waste management; carbon neutrality

(This special issue belongs to the Section Green Chemistry)

Nanoparticles for Environmental Applications

edited by

Marija B. Radoičić

submission deadline 31 Dec 2025 | Viewed by 29 | Submission Open

Keywords: environmental nanotechnology; water treatment; remediation; nanoparticles; pollution control; EMI shielding; ecotoxicology; green chemistry

(This special issue belongs to the Section Materials Chemistry)

AI-Powered Biomolecular Modeling: Bridging Scales and Accelerating Discovery

edited by

Zhaoxi Sun

Jianzhong Chen

and Hui Wang

submission deadline 31 Dec 2025 | Viewed by 28 | Submission Open

Keywords: artificial intelligence; molecular simulations; machine learning; force field development; enhanced sampling; ab initio calculations

Sustainable Approaches to Nanoparticle Synthesis: Toward a Greener and Safer Future

edited by

Vladimir Mihailovic

submission deadline 31 Dec 2025 | Viewed by 26 | Submission Open

Keywords: green synthesis of nanoparticles; sustainable nanotechnology; eco-friendly nanomaterials; biogenic nanoparticle synthesis; plant-mediated nanoparticle synthesis; microbial-assisted nanoparticle synthesis; renewable precursors in nanotechnology; low-toxicity nanomaterials; biological activities of green synthesized nanoparticles

(This special issue belongs to the Section Green Chemistry)

Plasma Catalysis Method in Catalytic Process

edited by

Sanchari Chowdhury

and Debtanu Maiti

submission deadline 31 Dec 2025 | Viewed by 24 | Submission Open

Keywords: catalysis; energy; plasma; surface interactions; mechanism; atmospheric plasma catalysis; plasma characterization; theory and modeling

(This special issue belongs to the Section Organic Chemistry)

Advances in European Materials Chemistry

edited by

Ana Ines Fernandez Renna

Marinella Striccoli

and

Marco Anni

submission deadline 31 Dec 2025 | Viewed by 23 | Submission Open

Keywords: carbon-based materials; nanomaterials; nuclear materials; luminescent materials; textile materials; biomaterials; interfaces in material systems; hybrid organic– inorganic materials; thin films and coatings; self-assembling systems; nanocomposites; thermal behavior; durability

(This special issue belongs to the Section Materials Chemistry)

Unique Heterocycles for Drug Discoveries

edited by

Xinghai Liu

submission deadline 31 Dec 2025 | Viewed by 17 | Submission Open

Keywords: heterocyclic compound; heterocyclic chemistry; medicinal chemistry; drug discovery; synthetic methodologies; drug design

(This special issue belongs to the Section Organic Chemistry)

Bioactive Compounds and Antioxidant Activity of Extracts from Natural Plants, 2nd Edition

edited by

Aleksandra Sentkowska

submission deadline 31 Dec 2025 | Viewed by 15 | Submission Open

Keywords: bioactive compounds; natural plant products; antioxidant activity; extraction methods; polyphenols; flavonoids

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

Feature Review Papers in Electrochemistry, 2nd Edition

edited by

Ram K. Gupta

and

César Augusto Correia de Sequeira

submission deadline 31 Dec 2025 | Viewed by 14 | Submission Open

Keywords: electrochemical science; electrochemical technology; environmental applications; new materials; energy conversion; energy storage; electrocatalysis; combined electrochemical technologies

(This special issue belongs to the Section Electrochemistry)

Application of Vibrational Spectroscopy Coupled with Chemometric Tools

edited by

Ricardo N. M. J. Páscoa

submission deadline 31 Dec 2025 | Viewed by 14 | Submission Open

Keywords: vibrational spectroscopy; chemometrics; quantitative analysis; qualitative analysis; NIR spectroscopy; IR spectroscopy; Raman spectroscopy

(This special issue belongs to the Section Analytical Chemistry)

Synthesis of Anticancer Agents for Targeted Therapy

edited by

Małgorzata Jeleń

submission deadline 31 Dec 2025 | Viewed by 13 | Submission Open

Keywords: organic synthesis of anticancer compounds; targeted cancer therapy; medicinal chemistry; structure– activity relationship (SAR); molecular-targeted therapy; drug development; chemotherapeutic agents; cell signaling pathways; monoclonal antibody; cancer-altered pathway

The Role of Cannabinoids in Human Health

edited by

Christian Lehmann

submission deadline 31 Dec 2025 | Viewed by 11 | Submission Open

Keywords: cannabinoids; synthetic cannabinoids; human health

(This special issue belongs to the Section Medicinal Chemistry)

Tailored Fluorescent Probes for Selective Recognition of Heavy Metal Species

edited by

Ying Hu

submission deadline 31 Dec 2025 | Viewed by 9 | Submission Open

Keywords: fluorescent probes; heavy metal detection; selective recognition; multi-target sensing; environmental monitoring; bioimaging; food safety; sensor design

(This special issue belongs to the Section Analytical Chemistry)

Natural Extracts for Pharmaceutical Applications

edited by

Isabel S. Carvalho

submission deadline 31 Dec 2025 | Viewed by 7 | Submission Open

Keywords: natural compounds; phytochemicals; bioactive compounds; medicinal plants; phytopharmacology; antioxidant activity; anti-inflammatory; antimicrobial; antidiabetic; wound healing

(This special issue belongs to the Section Medicinal Chemistry)

Molecular Approaches to Drug Design: From Target Identification to Delivery

edited by

Michio Kurosu

submission deadline 31 Dec 2025 | Viewed by 3 | Submission Open

Keywords: drug design; target identification; drug delivery; protein-based therapeutics; targeted therapy

Advances in Amylases, 2nd Edition

edited by

Stefan Janecek

submission deadline 15 Jan 2026 | Viewed by 19 | Submission Open

Keywords: enzyme; alpha-amylase enzyme; starch and glycogen; gut microbiome oriented study

(This special issue belongs to the Section Bioorganic Chemistry)

Transition Metal Complexes with Bioactive Ligands

edited by

Dušan Dimić

submission deadline 16 Jan 2026 | Viewed by 18 | Submission Open

Keywords: transition metal complexes; DFT; QTAIM; biological activity; bioactive ligands; crystal structures

(This special issue belongs to the Section Organometallic Chemistry)

Phosphorus-Based Compounds in Medicinal Chemistry

edited by

Magdalini Matziari

submission deadline 30 Jan 2026 | Viewed by 41 | Submission Open

Keywords: phosphorus-containing drugs; prodrugs; phosphonates; phosphinates; bioisosteres; enzyme inhibitors; drug design; drug discovery

(This special issue belongs to the Section Medicinal Chemistry)

Phytochemicals as Promising Molecules in Acute and Chronic Neurodegeneration

edited by

Paola Lenzi

submission deadline 30 Jan 2026 | Viewed by 36 | Submission Open

Keywords: phytochemicals; nutrients; morphology; transmission electron microscopy; autophagy; proteasome; neurodegeneration; central nervous system; peripheral nervous system; sensory organs

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

Advances in the Preparation and Application of Cellulose

edited by

Bin Wang

and Chengliang Duan

submission deadline 31 Jan 2026 | 1 articles | Viewed by 431 | Submission Open

Keywords: cellulose; chemical modification; nanofibers; physical modification; biological modification; preparation; application; composite materials

(This special issue belongs to the Section Materials Chemistry)

Antibacterial Agents: Present and Future

edited by

Aura Rusu

Livia Uncu

and

Octavia-Laura Oancea

submission deadline 31 Jan 2026 | Viewed by 173 | Submission Open

Keywords: antibacterial resistance; antibacterials; bacteria; bioactive compounds; drug repositioning; drug repurposing; hybrid antibacterials; Infectious diseases; metal complexes; nanoparticles

(This special issue belongs to the Section Chemical Biology)

Crystal Structures of Tricky, Unexpected, Labile or Difficult Molecular Structures by Diffraction Methods

edited by

Marco Milanesio

submission deadline 31 Jan 2026 | Viewed by 73 | Submission Open

Keywords: molecular structures; single-crystal diffraction; powder diffraction; unexpected reactions; labile compounds; intermediates; crystallography; molecular complexes; multi-technique approaches

(This special issue belongs to the Section Molecular Structure)

New Insights in Electrode Materials for Energy Storage and Electrocatalysis

edited by

Sumanta Sahoo

and

Ganesh Dhakal

submission deadline 31 Jan 2026 | Viewed by 68 | Submission Open

Keywords: biomass-derived carbon; transitional metal oxides/sulfides; supercapacitor; oxygen evolution reaction (OER); hydrogen evolution reaction (HER); oxygen reduction reaction (ORR)

(This special issue belongs to the Section Electrochemistry)

Emerging Trends in Microextraction Techniques for Bioanalytical Applications

edited by

Constantinos K. Zacharis

submission deadline 31 Jan 2026 | Viewed by 54 | Submission Open

Keywords: sorbent-based microextraction (i.e.; solid phase microextraction (SPME); matrix solid phase dispersion (MSPD); pipette-tip micro solid phase extraction; fabric sorptive phase extraction (FPSE); capsule phase microextraction (CPME); stir bar sorptive extraction (SBSE); etc.); liquid-phase microextraction (dispersive liquid– liquid microextraction; single-drop microextraction; electromembrane extraction; etc.); automation; new materials/sorbents (MOF; COFs; nanomaterials; conductive polymers; magnetic materials; etc.); miniaturization in sample preparation

(This special issue belongs to the Section Analytical Chemistry)

Cutting-Edge Developments in Antimicrobial Drug Discovery and Design

edited by

Wanda Mączka

Anna Duda-Madej

and

Katarzyna Wińska

submission deadline 31 Jan 2026 | Viewed by 21 | Submission Open

Keywords: antimicrobial activity; multidrug resistance; antibiotic resistance; pathogenic strains; phytochemicals; organic synthesis; computational drugs design; molecular modeling

(This special issue belongs to the Section Medicinal Chemistry)

Natural Products in Antibacterial Research of Plant and Food Extracts

edited by

Wirginia Kukula-Koch

and

Anna Malm

submission deadline 31 Jan 2026 | Viewed by 16 | 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)

Quantum-Chemical Studies for Superspecies—in Celebration of Professor Jean-François Gal’s 80th Birthday

edited by

Ewa Raczyńska

submission deadline 20 Feb 2026 | Viewed by 106 | Submission Open

Keywords: structure of superspecies; neutral; ionic; and/or radical forms; isomerism; electron delocalization; energetic parameters of electron transfer; thermochemistry of proton transfer; quantum-chemical studies

Lignocellulosic Materials, 2nd Edition

edited by

Bruno Medronho

and

Hugo Duarte

submission deadline 28 Feb 2026 | 1 articles | Viewed by 2176 | Submission Open

Keywords: biomass valorization; biopolymers; lignocellulose; green chemistry; bio-based materials; environmental remediation

(This special issue belongs to the Section Materials Chemistry)

Metal-Based Drugs: Past, Present and Future, 3rd Edition

edited by

Roxana Liana Lucaciu

and

Adriana Corina Hangan

submission deadline 28 Feb 2026 | Viewed by 105 | Submission Open

Keywords: metal-based drugs; synthesis; characterization; docking; biological activity; diagnosis; therapeutic tool

(This special issue belongs to the Section Chemical Biology)

Biochemically Active Natural and Semisynthetic Products: Extraction, Characterization, and Application

edited by

Emmanoel Vilaça Costa

submission deadline 28 Feb 2026 | Viewed by 67 | Submission Open

Keywords: natural and semisynthetic products; extraction; isolation; and purification; identification and structural elucidation; biological properties; multidisciplinary applications

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

Natural Compounds for Disease and Health, 3rd Edition

edited by

George P.H. Leung

and

Jingjing Li

submission deadline 28 Feb 2026 | Viewed by 9 | Submission Open

Keywords: natural products; phytochemistry; structure– activity relationship; mechanisms of action; anti-aging; cancer; cardiovascular diseases; digestive diseases; endocrine disorders; immune diseases; infections; inflammation; liver diseases; metabolic diseases; musculoskeletal diseases; neurodegenerative diseases; pain; psychiatric diseases; renal diseases; respiratory diseases

(This special issue belongs to the Section Medicinal Chemistry)

Gemini Surfactant Application Studies

edited by Iwona Kowalczyk and

Bogumil E. Brycki

submission deadline 1 Mar 2026 | Viewed by 16 | Submission Open

Keywords: gemini surfactants; biological activity; physicochemical analysis; smart material

(This special issue belongs to the Section Applied Chemistry)

Exploring the Antioxidant Activity of Natural Extracts: New Findings and Potential Food- and Non-Food-Related Applications

edited by

Victoria V. Volkis

submission deadline 26 Mar 2026 | Viewed by 247 | Submission Open

Keywords: natural antioxidants; superfruits; specialty crops; polyphenols; flavonoids; tannins; anthocyanins; carotenoids; vitamins; phytochemistry; extraction techniques; processing; functional food; sustainable technology; technical applications; antifouling; obesity; inflammation; diabetes; cosmetics; pharmaceuticals; environmental protection; material science; radical scavenging; nutraceuticals

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

Stress-Related Biomarkers: Analytical Methods and Their Applications

edited by

Hiroyuki Kataoka

submission deadline 30 Mar 2026 | Viewed by 211 | Submission Open

Keywords: biomarkers; stress hormones; advanced glycation end-products; mental and physical stress; oxidative stress; glycation stress; Immunological stress; fatigue; aging; lifestyle-related diseases

(This special issue belongs to the Section Analytical Chemistry)

In Silico Methods Applied in Drug and Pesticide Discovery, 3rd Edition

edited by

Ana Borota

Diana Ionela Popescu

and

Gildardo Rivera Sanchez

submission deadline 31 Mar 2026 | Viewed by 123 | Submission Open

Keywords: molecular modeling of small and complex molecules/macromolecules; homology modeling; molecular docking; virtual screening; ADME-Tox; ligand- and structure-based pharmacophore modeling; QSAR/QSPR models; drug/pesticide design; molecular dynamics

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

Biologically Active Compounds in Functional Foods

edited by

Dominika Średnicka-Tober

submission deadline 31 Mar 2026 | Viewed by 26 | Submission Open

Keywords: functional foods; bioactive compounds; vitamins; antioxidants; phenolics; functional ingredients; functional properties; fortified foods; enriched foods; food chemistry; bioavailability; food matrix

(This special issue belongs to the Section Food Chemistry)

Metal–Halide Perovskites for Solar Cell and LED Materials

edited by

René M. Williams

submission deadline 30 Apr 2026 | Viewed by 244 | 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)

Chemical Biology in Asia—Second Edition

edited by

Yujun Zhao

submission deadline 30 Apr 2026 | Viewed by 17 | Submission Open

Keywords: chemical biology; drug discovery; bioorganic chemistry; enzymology; synthetic biology; analytical tools

(This special issue belongs to the Section Chemical Biology)

Bioactive Molecules from Natural Sources and Their Functions

edited by Sonia Del Prete and

Mario Pagano

submission deadline 1 May 2026 | Viewed by 4 | Submission Open

Keywords: secondary metabolites; primary metabolism; living organisms; function; structure; enzymes; biosynthetic pathways

(This special issue belongs to the Section Medicinal Chemistry)

30th Anniversary of Molecules: Recent Advances in Photochemistry

edited by

Marcelo Guzman

Youhong Tang

and

Michael Moustakas

submission deadline 30 Jun 2026 | 1 articles | Viewed by 645 | Submission Open

Keywords: organic photochemistry synthetic photochemistry; photocatalysis; photofunctionalization; photobiology; medicinal photochemistry; computational photochemistry; photoelectrochemistry; solar energy conversion; condensed and gas phase photochemistry; polymer photochemistry; supramolecular photochemistry; photochromism; luminescent sensors; photochemistry for environmental remediation

(This special issue belongs to the Section Photochemistry)

Displaying special issue 801-850 on page 17 of 18.

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