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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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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 437 | 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 259 | 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)

Hypervalent Iodine Chemistry: Promise and Prospects

edited by

Toshifumi Dohi

submission deadline 31 Mar 2026 | 2 articles | Viewed by 4168 | 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)

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 | 1 articles | Viewed by 409 | 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)

Polymeric Nano-Based Drug Delivery Systems

edited by

René Darío Peralta-Rodríguez

submission deadline 31 Mar 2026 | Viewed by 212 | Submission Open

Keywords: nanotechnology; polymers; biopolymers; drug delivery; encapsulation; essential oils; blood-brain barrier

(This special issue belongs to the Section Macromolecular Chemistry)

Advances in Conversion of Biomass

edited by

Li Guo

and Anjani Ravi Kiran Gollakota

submission deadline 31 Mar 2026 | Viewed by 135 | Submission Open

Keywords: biomass conversion; bio-based material; catalyst design; heterogeneous catalysis; enzyme catalysis

(This special issue belongs to the Section Green Chemistry)

Biologically Active Compounds in Functional Foods

edited by

Dominika Średnicka-Tober

submission deadline 31 Mar 2026 | Viewed by 51 | 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)

Recent Progress in Environmental Analytical Chemistry

edited by

Tony Venelinov

and

Stefan Tsakovski

submission deadline 31 Mar 2026 | Viewed by 48 | Submission Open

Keywords: environmental monitoring; water; air and soil pollution; pollution analysis; environmental toxicity; analytical chemistry; chemometrics; method development for analysis of environmental compartments; method validation

(This special issue belongs to the Section Analytical Chemistry)

Photo- and Sonodynamic Antimicrobial Compounds

edited by

Marina Nisnevitch

and

Faina Nakonechny

submission deadline 31 Mar 2026 | Viewed by 41 | Submission Open

Keywords: photosensitizers; sonosensitizers; photodynamic treatment; sonodynamic treatment; antimicrobials

(This special issue belongs to the Section Medicinal Chemistry)

Discovery and Development of Anti-Cancer Drugs: From Signalling Pathways to Molecular Mechanisms

edited by

Leonardo Oliveira Reis

and Lívia Bitencourt Pascoal

submission deadline 31 Mar 2026 | Viewed by 23 | 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)

Current Emerging Trends of Extraction and Encapsulation in Food, 2nd Edition

edited by

Seyed Mohammad Taghi Gharibzahedi

submission deadline 31 Mar 2026 | Viewed by 11 | Submission Open

Keywords: extraction; encapsulation; drying; emulsion; targeted delivery; stability; bioactive compounds; nonthermal technologies; bioavailability; functional foods

(This special issue belongs to the Section Food Chemistry)

Metal Complexes in Catalysis and Biological Applications

edited by

John J. Hurtado

and Edgar Nagles

submission deadline 31 Mar 2026 | Viewed by 11 | Submission Open

Keywords: metal complexes; synthesis and characterization; catalysis; biological activity; DFT; crystal structure

(This special issue belongs to the Section Inorganic Chemistry)

Bioactive Compounds in Plants: Extraction and Application

edited by

Bruna Aparecida Souza Machado

and

Klebson Santos

submission deadline 31 Mar 2026 | Viewed by 10 | Submission Open

Keywords: bioactive compounds; extraction; biological activities

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

Synthesis and Application of Disulfide Compounds

edited by Goreti Ribeiro Morais and

Jinlin He

submission deadline 31 Mar 2026 | Viewed by 6 | Submission Open

Keywords: organic chemistry; poly(disulfide)s; dithioglycosides; cyclization of peptides; drug discovery; chemical biology; prodrug development; dynamic and recyclable material

(This special issue belongs to the Section Medicinal Chemistry)

Chemical Compounds or Agents Against Parasites, Bacteria, and Neglected Tropical Diseases

edited by

Annette Kaiser

submission deadline 1 Apr 2026 | Viewed by 11 | Submission Open

Keywords: chemical compounds; resistance; NTDs; targets

(This special issue belongs to the Section Medicinal Chemistry)

Study of Quadruplex Nucleic Acids and Beyond

edited by

Yan Xu

submission deadline 1 Apr 2026 | Viewed by 8 | Submission Open

Keywords: G-quadruplexes (G4s); i-Motifs; Z-DNA/RNA; triplex DNA; cruciforms; hairpins; chemical probes; nanomaterials; biosensors

Liquid Crystals, 3rd Edition

edited by

Viorel Circu

Doina Manaila-Maximean

and

Valery A. Loiko

submission deadline 1 Apr 2026 | Viewed by 5 | Submission Open

Keywords: liquid crystals; ionic liquid crystals; metallomesogens; nanoparticles; liquid crystal composites; polymer liquid crystals; lyotropic liquid crystals

(This special issue belongs to the Section Materials Chemistry)

Synthesis, Characterization and Application of Polymer-Based Materials, 2nd Edition

edited by

Nadya Vasileva Dencheva

and

Zlatan Denchev

submission deadline 30 Apr 2026 | 6 articles | Viewed by 4637 | Submission Open

Keywords: synthetic; natural; and sustainable polymer-based materials; polymer composites; polymer hybrids; multifunctional and smart polymer materials; structure– properties relationship in polymer systems; advanced characterization of polymer multiphase systems; polymer synthesis and reactive processing; polymer-based supports for bioactive molecules; applications of polymer-based materials; hydrophilic polymer systems

(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 292 | 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)

Exploring Bioactive Compounds in Foods and Nutrients for Human Health

edited by Denise Mafra and

Livia Alvarenga

submission deadline 30 Apr 2026 | Viewed by 85 | Submission Open

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

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

edited by

Maria Novella Romanelli

submission deadline 30 Apr 2026 | Viewed by 71 | 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)

Advances and Opportunities of Natural Products in Drug Discovery

edited by

Daniel Pereira Bezerra

submission deadline 30 Apr 2026 | Viewed by 44 | Submission Open

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

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

Chemical Biology in Asia—Second Edition

edited by

Yujun Zhao

and

Li Wu

submission deadline 30 Apr 2026 | Viewed by 43 | Submission Open

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

(This special issue belongs to the Section Chemical Biology)

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

edited by

Lu Dong

Xinye Wang

and Huimin Liu

submission deadline 30 Apr 2026 | Viewed by 17 | 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)

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

edited by

Elizabeth Opara

and Samireh Jorfi

submission deadline 30 Apr 2026 | Viewed by 8 | Submission Open

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

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

Bioactive Molecules from Natural Sources and Their Functions

edited by Sonia Del Prete and

Mario Pagano

submission deadline 1 May 2026 | Viewed by 80 | Submission Open

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

(This special issue belongs to the Section Medicinal Chemistry)

The State-of-the-Art in Improving the Antitumor Efficacy of Platinum Drugs

edited by

Mauro Ravera

and

Elisabetta Gabano

submission deadline 20 May 2026 | 1 articles | Viewed by 2767 | Submission Open

Keywords: bioinorganic chemistry; metal-based drugs; pt coordination compounds; pharmacodynamics; pharmacokinetics

(This special issue belongs to the Section Medicinal Chemistry)

Development and Design of Novel Electrode Materials

edited by

Lei Wang

submission deadline 31 May 2026 | 3 articles | Viewed by 1708 | Submission Open

Keywords: electrode materials; supercapacitors; batteries; electrocatalysis; photovoltaic materials

(This special issue belongs to the Section Electrochemistry)

Lignin Valorization in Biorefineries

edited by Carlos Eduardo De Araújo Padilha, Everaldo Silvino Dos Santos and Domingos Fabiano de Santana Souza

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

Keywords: pretreatment; bioactive compounds; antioxidant properties; kraft lignin; extraction; thermochemical processes

(This special issue belongs to the Section Green Chemistry)

Antimicrobial Compounds and Biocontrol Strategies in Food Microbiology and Safety

edited by

María José Benito

and

Rocío Casquete Palencia

submission deadline 31 May 2026 | Viewed by 49 | Submission Open

Keywords: antimicrobial compound; natural; synthetic; microbial; application; biocontrol; food; crop; agricultural; pathogenic; spoilage; bacteria; mold; in vitro; in vivo; mechanisms of action; membrane disruption; enzyme inhibition; interference with microbial communication; resistance management

(This special issue belongs to the Section Food Chemistry)

Treatment and Analysis of PFAS in Environmental Pollution

edited by

Shilai Hao

submission deadline 31 May 2026 | Viewed by 2 | Submission Open

Keywords: PFAS; total fluorine; treatment; environmental samples

(This special issue belongs to the Section Green Chemistry)

30th Anniversary of Molecules: Recent Advances in Photochemistry

edited by

Marcelo Guzman

Youhong Tang

and

Michael Moustakas

submission deadline 30 Jun 2026 | 2 articles | Viewed by 1267 | 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)

Perovskite Materials for Application in Sustainable Energy Technologies

edited by Ndzondelelo Bingwa

submission deadline 30 Jun 2026 | Viewed by 35 | Submission Open

Keywords: perovskites; renewable energy; photocatalysis; biofuels; hydrogen; metal oxides; heterogeneous catalysis

(This special issue belongs to the Section Materials Chemistry)

Heterocyclic Molecules in Drug Discovery

edited by

Beata Morak-Młodawska

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

Keywords: organic synthesis of bioactive heterocyclic compounds; structural analysis of heterocycles; biological activity of heterocycles; ADME properties of heterocycles; in silico analysis and experimental analysis of heterocyclic molecules

(This special issue belongs to the Section Medicinal Chemistry)

Computational Analysis of Protein and Nucleic Acid Structures, Interactions, and Functions

edited by

Wenjin Li

and

Ruoxu Gu

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

Keywords: machine learning; molecular dynamics simulations; multi-scale modeling; protein– nucleic acid interactions; protein and/or nucleic acid structure prediction; binding thermodynamics/kinetic; AI-assisted drug design; functional prediction; network-based functional analysis; multi-omics integration

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

Biobased Chemicals: Environmentally Friendly Solutions for Sustainable Development, 3rd Edition

edited by

Szymon Szufa

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

Keywords: bioproducts; biochar; hydrochar; by-products; biofuels; biomass; hydrothermal carbonization; torrefaction

Advances in Physicochemical Properties of Innovative Food Products During Processing

edited by

Hanna Kowalska

and

Mariola Kozłowska

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

Keywords: innovative food processing; pulsed electric fields; ultrasound processing; cold plasma; hybrid drying; fermentation; physicochemical properties; functional and sensory attributes; natural ingredients; food structure and stability; nutritional value; sustainable food systems

Terpenes, Steroids and Their Derivatives, 3rd Edition

edited by

Pavel B. Drasar

submission deadline 30 Jun 2026 | Viewed by 22 | Submission Open

Keywords: terpene and steroid chemistry; biochemistry; repurposing; and practical utilization; terpene and steroid derivative synthesis; isolation and analysis of terpenes and steroids; terpene and steroid medicinal; as well as cosmetic; utilization; fluorescent labelling; bio-imaging

Advancement in Phytochemistry and Pharmacology of Medicinal Plants

edited by Marcelo José Dias and Claúdia Quintino Da Rocha

submission deadline 30 Jun 2026 | Viewed by 18 | Submission Open

Keywords: green chemistry and sustainable chemical processes; advanced thin layer chromatography; ethical application of artificial intelligence in natural products; natural product platforms; pharmaceutical biotechnology and chemical innovation; bioprospecting; phytomedicine; in vivo and in vitro ethnopharmacological studies; promising chemical– biological studies by research groups; phytomedicine and chemical standardization of herbal formulations

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

Nicotinamide Adenine Dinucleotide (NAD) Metabolism and Related Drug Compounds (Second Edition)

edited by

Giuseppe Orsomando

and

Riccardo Petrelli

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

Keywords: NAD metabolism; NAD enzymology; NAD biosynthesis; NAD degradation; pyridine drugs; niacin; vitamin B3; drug discovery; NAD-based therapeutics

(This special issue belongs to the Section Chemical Biology)

Advances in Computer-Aided Drug Design and Synthesis

edited by

Jorddy Cruz

submission deadline 30 Jun 2026 | Viewed by 14 | Submission Open

Keywords: natural products; extraction; pharmacological potential; biological activities

Inorganic Chemistry in Asia, 2nd Edition

edited by

Takashiro Akitsu

submission deadline 30 Jun 2026 | Viewed by 14 | Submission Open

Keywords: inorganic chemistry; coordination chemistry; organometallic chemistry; solid-state chemistry; bioinorganic chemistry; nuclear- and radiochemistry; theoretical calculation

(This special issue belongs to the Section Inorganic Chemistry)

Plant Secondary Metabolites: Extraction, Isolation and Biological Activity

edited by

Antoaneta Trendafilova

submission deadline 30 Jun 2026 | Viewed by 13 | Submission Open

Keywords: secondary metabolites; extraction; chromatography; identification (NMR; MS; etc.); hyphenated techniques (Gc-MS; LC-MS; etc.); biological activity; structure– activity relationships; mechanism of action

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

Microbe Metabolites as Functional and Bioactive Components in Food

edited by

Katarzyna Pobiega

submission deadline 30 Jun 2026 | Viewed by 11 | Submission Open

Keywords: microbial metabolites; functional food; bioactive compounds; fermentation; gut microbiota; single-cell protein; microbial lipids; natural pigments; probiotics

Crystal and Molecular Structure: Theory and Application

edited by

Łukasz Szeleszczuk

submission deadline 30 Jun 2026 | Viewed by 5 | Submission Open

Keywords: crystal structure; molecular structure; DFT; structural analysis; molecular modeling; calculations; physicochemical analysis; polymorphism

(This special issue belongs to the Section Applied Chemistry)

Synthesis and Characterization of Hybrid Biomaterials for Life Sciences

edited by

Michelina Catauro

Antonio D’Angelo

and

Marika Fiorentino

submission deadline 30 Jun 2026 | Viewed by 3 | Submission Open

Keywords: hybrid material; biomaterials; drug release; antimicrobial test; chemical characterization; natural polymers; bioactivity assessment; bioactivity

(This special issue belongs to the Section Materials Chemistry)

Design and Application of Functional Supramolecular Materials

edited by

Jie Yang

submission deadline 9 Jul 2026 | Viewed by 5 | Submission Open

Keywords: supramolecular chemistry; noncovalent interactions; self-assembly; host– guest chemistry; functional materials

(This special issue belongs to the Section Materials Chemistry)

5th Anniversary of Section Flavours and Fragrances and 30th Anniversary of Molecules

edited by

Henryk H. Jeleń

submission deadline 31 Oct 2026 | 3 articles | Viewed by 3205 | Submission Open

Keywords: flavor; aroma; taste; fragrances; volatilomics; flavoromics; sensomics; food flavors; analysis of flavor compounds

(This special issue belongs to the Section Flavours and Fragrances)

30th Anniversary of Molecules—Recent Advances in Materials Chemistry

edited by

Giuseppe Cirillo

Dimitrios Gournis

and Mu-Ping Nieh

submission deadline 30 Nov 2026 | 10 articles | Viewed by 7188 | Submission Open

Keywords: materials chemistry; synthetic procedures; characterization procedures; nanomaterials and nanocomposites; biologically oriented materials and biomaterials; materials of natural origin; hybrid composites; mechanical properties; long-term durability

(This special issue belongs to the Section Materials Chemistry)

30th Anniversary of Molecules—Recent Advances in Computational and Theoretical Chemistry

edited by

Maxim L. Kuznetsov

submission deadline 30 Nov 2026 | 5 articles | Viewed by 2531 | Submission Open

Keywords: computational chemistry; quantum chemistry; density functional theory; molecular design; reaction mechanism; chemical bonding; non-covalent interactions; molecular docking

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

Displaying special issue 901-950 on page 19 of 20.

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