Submit to Molecules Review for Molecules Propose a Special Issue

Journal Menu

Journal Browser

Special Issues

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.

Section

Search by Title/Keyword

Order results

Display

Results per page

QSAR and QSPR: Recent Developments and Applications, 5th Edition

edited by

Bono Lučić

submission deadline 1 Oct 2026 | 2 articles | Viewed by 956 | Submission Open

Keywords: QSAR/QSPR modelling; development of molecular descriptors; molecular structure representation; data mining; machine learning; regression QSAR/QSPR modelling; classification QSAR/QSPR modelling; model optimization protocols; model validation algorithms; model quality metrics; random accuracy; ensemble QSAR/QSPR modelling; applicability domain; QSAR/QSPR model interpretation; comparative modelling; drug design; drug discovery; environmentally-relevant activity; biological activity; physicochemical property

(This special issue belongs to the Section Computational and Theoretical 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 453 | 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)

Biomarker for Molecular-Targeted Cancer Therapy

edited by

Sae-Ock Oh

submission deadline 10 Oct 2026 | 2 articles | Viewed by 2073 | Submission Open

Keywords: biomarkers; chemical biology; targeted cancer therapy; molecular mechanisms; small-molecule probes; druggable pathways; precision oncology

(This special issue belongs to the Section Chemical Biology)

Biologically Active Compounds in Functional Foods

edited by

Dominika Średnicka-Tober

submission deadline 15 Oct 2026 | 2 articles | Viewed by 3949 | 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)

Bioactive Compounds from Fruits and Vegetables

edited by

Simona Fabroni

Krystian Marszałek

and

Aldo Todaro

submission deadline 15 Oct 2026 | 4 articles | Viewed by 2391 | Submission Open

Keywords: fruit and veggie products; bioactive compounds; food supplements and formulations; natural compounds; in vitro and in vivo bioavailability; antioxidant efficacy; green extraction and purification

(This special issue belongs to the Section Food Chemistry)

Computationally Guided Medicinal Chemistry: Molecular Modeling, Scaffold Design, and Multi-Target Drug Discovery

edited by

Vassilios Myrianthopoulos

Alessia Bono

Annamaria Martorana

and

Antonino Lauria

submission deadline 15 Oct 2026 | 2 articles | Viewed by 1625 | Submission Open

Keywords: rational drug design; multi-target drug discovery; drug repurposing; scaffold design; computer-aided drug design (CADD); molecular modeling; predictive modeling

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

Advances in Valorization Strategies for Grape By-Products

edited by

Tzonka Ivanova Godjevargova

and Yavor Lukanov Ivanov

submission deadline 15 Oct 2026 | 1 articles | Viewed by 610 | Submission Open

Keywords: grape by-products; valuable biologically active substances; biological activity; antioxidant, anti-inflammatory, antimicrobial and anticancer; green extraction; storage conditions; plant extracts, providing synergistic action; stabilization of purified extracts; cosmetics, food industry, medicine; biodegradable packaging films

(This special issue belongs to the Section Food Chemistry)

Microfluidics: Applications for Analytical Purposes in Chemistry

edited by

Jiao Zhai

and

Yanwei Jia

submission deadline 15 Oct 2026 | Viewed by 320 | Submission Open

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

(This special issue belongs to the Section Analytical Chemistry)

Ultrasounds and Microwave Assisted Reactions as Modern Eco-Friendly Useful Tools in Medicinal Chemistry

edited by

Ionel Mangalagiu

submission deadline 15 Oct 2026 | Viewed by 317 | Submission Open

Keywords: microwave; microwave and ultrasounds; synthesis; cycloadditions; heterocycles; anticancer; antituberculosis; antimicrobials; anti-HIV; other biological activities; fluorescent derivatives for medicinal chemistry

(This special issue belongs to the Section Medicinal Chemistry)

Phenolic Compounds from Plants

edited by

Concepción Pérez-Lamela

and

Pawel Gornas

submission deadline 16 Oct 2026 | Viewed by 357 | Submission Open

Keywords: phenolic compounds; analytical methods; chemical structure; biological activities; bioavailability

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

Advances in Organic Synthesis in Pharmaceuticals, Agrochemicals and Materials—2nd Edition

edited by Zhao-Yang Wang and Le Li

submission deadline 30 Oct 2026 | 2 articles | Viewed by 1747 | Submission Open

Keywords: organic synthetic methods; synthesize pharmaceuticals, agrochemicals, and materials; organic photosynthesis; organic electrochemical synthesis; biocatalysis; AI-based organic synthesis

(This special issue belongs to the Section Organic Chemistry)

Radiochemistry: Present Status and Future Perspectives

edited by Gregory P. Holmbeck and

Travis S. Grimes

submission deadline 30 Oct 2026 | 1 articles | Viewed by 1470 | Submission Open

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

(This special issue belongs to the Section Medicinal Chemistry)

Bioactive Compounds from Natural Sources: Novel Extraction Methods, Protection and Therapeutic Potential

edited by

Rosalva Mora-Escobedo

Cristian Jiménez Martínez

and Liliana Alamilla

submission deadline 30 Oct 2026 | 1 articles | Viewed by 958 | Submission Open

Keywords: bioactive compounds; natural products; green extraction; purification; separation techniques; encapsulation; nanoencapsulation; therapeutic potential; drug discovery; nutraceuticals; stability; bioavailability

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

Emerging Contaminants in Environmental and Biological Systems: Analytical Challenges and Solutions

edited by

Agnese Giacomino

and

Paolo Inaudi

submission deadline 30 Oct 2026 | Viewed by 345 | Submission Open

Keywords: emerging contaminants; trace analysis; new analytical methods and techniques; food; environmental matrices; sample preparation

(This special issue belongs to the Section Analytical Chemistry)

Synthesis and Chemoenzymatic Approaches to Pharmaceutically Relevant Products and Intermediates

edited by

Elena Pini

, Raffaella Gandolfi and

Giorgio Facchetti

submission deadline 30 Oct 2026 | Viewed by 336 | Submission Open

Keywords: organic synthesis; chemoenzymatic synthesis; active pharmaceutical ingredients (APIs); pharmaceutical intermediates; drug development; organometallic catalysis; stereo-controlled reactions

(This special issue belongs to the Section Organic Chemistry)

Thermodynamics of Metal Cation Coordination: From Fundamental Equilibria to Biological and Environmental Systems

edited by Clemente Bretti and Rosita Cappai

submission deadline 30 Oct 2026 | Viewed by 303 | Submission Open

Keywords: chemical speciation; metal cations; thermodynamic; stability constants; complexes; solution equilibria

Drug Metabolism in Personalized Oncology: From Molecular Mechanisms to Clinical Translation

edited by

Gianluca Catucci

submission deadline 30 Oct 2026 | Viewed by 265 | Submission Open

Keywords: drug metabolism; anticancer drugs; polymorphisms; enzymes; drug biotransformation

(This special issue belongs to the Section Medicinal Chemistry)

Research on Chemical Composition and Activity of Natural Products, 2nd Edition

edited by

Stela Dimitrova

Ana M. Dobreva

and

Petko Denev

submission deadline 31 Oct 2026 | 21 articles | Viewed by 23332 | Submission Open

Keywords: natural bioactive compounds; isolation and analysis; metabolism; in vitro and in vivo experiments; pharmacological study

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

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

edited by

Henryk H. Jeleń

submission deadline 31 Oct 2026 | 8 articles | Viewed by 19961 | 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)

Anti-Aging and Skin Rejuvenation Ingredients: Design and Research

edited by

Anca Maria Juncan

Luca-Liviu Rus

and Daniela Lucia Muntean

submission deadline 31 Oct 2026 | 9 articles | Viewed by 15637 | Submission Open

Keywords: anti-aging ingredients; skin rejuvenation; nutricosmetics and cosmeceuticals; bioactive compounds; formulation and delivery systems; extracellular matrix and skin biology; in silico, in vitro and in vivo assessment

(This special issue belongs to the Section Applied Chemistry)

Design, Synthesis and Biological Evaluation of Medicinal Potential Compounds—2nd Edition

edited by

Renato Emanuel Felix Boto

and

Samuel Martins Silvestre

submission deadline 31 Oct 2026 | 10 articles | Viewed by 10063 | Submission Open

Keywords: bioactive compounds; design; synthesis; biological evaluation; in silico evaluation; in vitro evaluation; in vivo evaluation

(This special issue belongs to the Section Medicinal Chemistry)

Green Chemistry and Molecular Tools in Agriculture

edited by

Ewa Szpunar-Krok

and

Maria Czernicka

submission deadline 31 Oct 2026 | 7 articles | Viewed by 9506 | Submission Open

Keywords: sustainable agriculture; green chemistry; agri-food by-products; bioactive compounds; biostimulants; circular economy; molecular tools; eco-friendly agrochemicals; soil health; precision agriculture

(This special issue belongs to the Section Green Chemistry)

Functional Foods: Bioactive Compounds, Antioxidants and Anti-Inflammatory Activities, 2nd Edition

edited by

Mirjana B. Pešić

Bojana Vidović

and

Danijel D. Milinčić

submission deadline 31 Oct 2026 | 10 articles | Viewed by 8865 | Submission Open

Keywords: functional foods; bioactive compounds; antioxidants; anti-inflammatory; nutraceuticals; isolation of bioactives; interactions of bioactives; food matrix; bioaccessibility; bioavailability

(This special issue belongs to the Section Food Chemistry)

Synthesis and Derivatization of Heterocyclic Compounds

edited by Philipp Natho and

Marco Colella

submission deadline 31 Oct 2026 | 7 articles | Viewed by 8565 | Submission Open

Keywords: heterocyclic compounds; spirocyclic compounds; enabling technology; synthetic methodologies; strained heterocycles; medicinal chemistry; fused compounds

(This special issue belongs to the Section Organic Chemistry)

NMR and MRI in Materials Analysis: Opportunities and Challenges

edited by

Igor Serša

submission deadline 31 Oct 2026 | 7 articles | Viewed by 7262 | Submission Open

Keywords: molecular dynamics and transport phenomena in polymers; hardening reactions in materials; magnetic resonance in analysis of pharmaceutical products; contrast agents; chemistry of wood and its products; thermal and other types of processing of foods; electrochemistry and transport phenomena in batteries and other energy storage devices

Bioactive Properties and Chemical Composition of Wild Edible Species, 2nd Edition

edited by Spyridon Petropoulos

submission deadline 31 Oct 2026 | 5 articles | Viewed by 6875 | Submission Open

Keywords: wild edible species; bioactive properties; polyphenols; antioxidant activity; antimicrobial properties; carotenoids; vitamins

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

Natural Products with Pharmaceutical Activities, 2nd Edition

edited by

Sokcheon Pak

and

Soo Liang Ooi

submission deadline 31 Oct 2026 | 4 articles | Viewed by 6626 | Submission Open

Keywords: bioactive compounds; drug discovery; natural product chemistry; pharmacological evaluation; structure–activity relationship

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

Nanochemistry in Asia

edited by Lei Huang and

Feng Hu

submission deadline 31 Oct 2026 | 5 articles | Viewed by 5693 | Submission Open

Keywords: nanochemistry; nanomaterials; nanomedicine; nanotoxicity; nanocatalysis

(This special issue belongs to the Section Nanochemistry)

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

edited by

Ana Paula Da Costa Ribeiro

and Yanfei Xu

submission deadline 31 Oct 2026 | 3 articles | Viewed by 5581 | 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)

Plant Metabolites: Isolation, Phytochemistry, and Biological Activities

edited by

Dagmara Wróbel-Biedrawa

, Karolina Grabowska and

Luca Rastrelli

submission deadline 31 Oct 2026 | 3 articles | Viewed by 4841 | Submission Open

Keywords: isolation; plant metabolites; plant extracts; medicinal plants; biological activity assessment

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

Recent Advances in Catalysts for Biomass Conversion

edited by

Minghao Li

and Chunlin Chen

submission deadline 31 Oct 2026 | 1 articles | Viewed by 4396 | Submission Open

Keywords: biomass utilization; biomass platform chemicals; lignocellulose model compounds; catalysis; bio-based materials

Novel Antiparasitic Molecules for Neglected Tropical Diseases

edited by

Carlos Monteiro

submission deadline 31 Oct 2026 | 5 articles | Viewed by 4078 | 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)

Terpenes and Their Derivatives: From Nature to Medical Applications

edited by

Linfu Liang

Anwar Rayan

and

Barbara De Filippis

submission deadline 31 Oct 2026 | 3 articles | Viewed by 3930 | Submission Open

Keywords: terpenes; plants; animals; microbes; extraction technologies; structure elucidation; chemical synthesis and biosynthesis; biological investigation

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

Plant-Based Food Chemistry: Composition, Technological and Functional Quality

edited by

Ana Novo Barros

and

Katarzyna Sujka

submission deadline 31 Oct 2026 | 4 articles | Viewed by 3478 | Submission Open

Keywords: plant-based food; food chemistry; food processing; bioactive compounds; chemical composition; structural characterization

(This special issue belongs to the Section Food Chemistry)

Advanced Oxidation of Emerging Pollutants in Water

edited by Rongfang Yuan

submission deadline 31 Oct 2026 | 1 articles | Viewed by 3456 | Submission Open

Keywords: advanced oxidation; photocatalytic oxidation; photoelectrocatalytic processes; ultrasonic irradiation; peroxymonosulfate activation; emerging pollutants; water treatment

(This special issue belongs to the Section Green Chemistry)

Plant and Animal Bioreactors: Insights into Bioactive Molecules for Therapeutic Innovation

edited by

Katarzyna Wiktorska

and

Agata Kućko

submission deadline 31 Oct 2026 | 1 articles | Viewed by 3252 | Submission Open

Keywords: plant bioreactors; animal bioreactors; bioproduction; plant metabolites; plant hormones; biologics; biosimilars; drug research and development; nutraceuticals; plant engineering; pharmaceutical biotechnology; agricultural biotechnology; bioactive molecules

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

Advances in Textile Coloration and Finishing for Sustainable and Smart Textiles

edited by

Joonseok Koh

submission deadline 31 Oct 2026 | 1 articles | Viewed by 3077 | Submission Open

Keywords: sustainable dyeing; eco-friendly dyes; functional finishing; smart textiles; green finishing processes

Recent Advances in Biocatalysis

edited by

Raffaele Saladino

and

Eliana Capecchi

submission deadline 31 Oct 2026 | 1 articles | Viewed by 3045 | Submission Open

Keywords: enzymatic cascade reactions; artificial metabolism and minimal systems; hybrid chemoenzymatic catalysis; enzyme immobilization and nanostructured supports; sustainable and green biocatalysis

(This special issue belongs to the Section Bioorganic Chemistry)

Chemical Composition, Pharmacological and Therapeutic Activity of Plant Extracts

edited by

Jasmina Sretenovic

Jovana Bradic

and

Jovana Joksimovic Jovic

submission deadline 31 Oct 2026 | 4 articles | Viewed by 3042 | Submission Open

Keywords: plant extracts; natural product chemistry; in silico, in vitro, and in vivo studies; acute and chronic inflammation; cardiometabolic disorders; endocrine disorders; neurodegenerative disorders

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

Chemical Structures and Bioactivities of Natural Products Against Inflammation and Cancer

edited by

Xun Song

Guangxin Chen

and

Chi-shing Tai

submission deadline 31 Oct 2026 | 1 articles | Viewed by 2996 | Submission Open

Keywords: anti-inflammatory; anticancer; antitumor; natural products; drug development

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

Neurochemistry: Recent Advances and Future Opportunities in Antidepressants and Mood Stabilizers

edited by

Simona Dedoni

submission deadline 31 Oct 2026 | 1 articles | Viewed by 2976 | Submission Open

Keywords: neurochemistry; antidepressants; mood stabilizers; neurotransmitters; neuroplasticity; biomarkers; inflammation and mood disorders; personalized medicine; rapid-acting therapeutics; mechanisms of action

(This special issue belongs to the Section Medicinal Chemistry)

Development of Food Packaging Materials, 2nd Edition

edited by

Michael Kontominas

submission deadline 31 Oct 2026 | 2 articles | Viewed by 2875 | Submission Open

Keywords: plastics, glass, metals, paper/paperboard; biodegradable materials; recyclable materials; active and Intelligent materials; nanomaterials in packaging

(This special issue belongs to the Section Materials Chemistry)

C-H Bond Functionalization of Heterocyclic Compounds

edited by

Dong Wang

submission deadline 31 Oct 2026 | 2 articles | Viewed by 2874 | 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)

Natural Bioactive Molecules: Discovery, Mechanisms and Applications in Health and Agriculture

edited by

Antonella Locascio

and Sergio Chevilly Tena

submission deadline 31 Oct 2026 | 6 articles | Viewed by 2832 | Submission Open

Keywords: bioactive molecules; natural products; oxidative stress and cellular signaling

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

New Perspectives on Analytical Methods in Food Products

edited by

Giovanni Caprioli

and

Gulzhan Khamitova

submission deadline 31 Oct 2026 | 2 articles | Viewed by 2731 | Submission Open

Keywords: analytical methods; food and plant analysis; chemical characterization of by-products; valorization and recovery of by-products; extraction methods; liquid chromatography–mass spectrometry; gas chromatography–mass spectrometry; spectrophotometer

(This special issue belongs to the Section Food 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 31 Oct 2026 | 2 articles | Viewed by 2620 | 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)

Application of Bioenzyme Engineering and Enzyme Catalysis in the Food Industry

edited by

Binglin Li

, Ivan Kurtovic and

Roberto Fernandez-Lafuente

submission deadline 31 Oct 2026 | 3 articles | Viewed by 2591 | Submission Open

Keywords: enzyme; biotechnology; biocatalysis; metabolic engineering; food-grade supports; protein modification; protein design

Density Functional Theory (DFT): From Conceptual Developments to Practical Applications

edited by

Gerardo M. Casañola-Martin

Yoan Hidalgo-Rosa

, Manuel Treto-Suárez and

Karel Mena-Ulecia

submission deadline 31 Oct 2026 | 3 articles | Viewed by 2469 | Submission Open

Keywords: density functional theory (DFT) methods; Ab initio molecular dynamics; elucidation of detection mechanisms; electronic structure and binding energies; catalysis and photocatalysis; optical properties and excited-state dynamics; DFT benchmarking and perspectives; molecular descriptors based on density functional theory.

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

Enzyme Catalysis: Recent Advances and Future Opportunities

edited by

Thiago Machado Pasin

and

Alex Graça Contato

submission deadline 31 Oct 2026 | 1 articles | Viewed by 2374 | Submission Open

Keywords: enzyme catalysis; protein structure; biophysical methods; enzyme engineering; computational enzymology; biocatalysis; mechanistic analysis

(This special issue belongs to the Section Bioorganic Chemistry)

Chemical Analyses and Applications of Essential Oils—2nd Edition

edited by

Francisco Les

submission deadline 31 Oct 2026 | 2 articles | Viewed by 2367 | Submission Open

Keywords: essential oils; bioactive compounds; liquid phase; vapor phase; potential applications

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

Displaying special issue 151-200 on page 4 of 28.

Go to page 2 3 4 5 6

Journal Menu

Journal Browser

Special Issues

Further Information

Guidelines

MDPI Initiatives

Follow MDPI