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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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Small-Molecule Targeted Drugs

edited by

Wen Zhang

submission deadline 30 Dec 2025 | 1 articles | Viewed by 428 | Submission Open

Keywords: drug discovery; high-throughput screening; structure (ligand)-based drug design; PD-1/PD-L1 drug design; molecular docking; pharmacophore modeling; therapeutics; computational approaches

(This special issue belongs to the Section Medicinal Chemistry)

Advanced Nanotherapeutics: Design, Synthesis and Applications—2nd Edition

edited by

Sandra Pinto

and

Vasco D. B. Bonifácio

submission deadline 30 Dec 2025 | 1 articles | Viewed by 414 | Submission Open

Keywords: nanomedicine; nanodelivery systems; polymer therapeutics; polymer nanoparticles; anticancer nanomaterials; antimicrobial nanoparticles; theranostics

(This special issue belongs to the Section Nanochemistry)

Exploring the Potential of Biodegradable and Biocompatible Natural Polymers

edited by

Meng He

and Dingfeng Xu

submission deadline 30 Dec 2025 | Viewed by 95 | Submission Open

Keywords: natural polymers; biopolymers; biocompatibility; material design; biomedical applications; packaging; derivatives; environmental impact

(This special issue belongs to the Section Applied Chemistry)

Essential Oils and Their Multifaceted Studies: From Extraction to Applications

edited by

Mozaniel Santana de Oliveira

submission deadline 30 Dec 2025 | Viewed by 62 | Submission Open

Keywords: in silico; in vivo; in vitro; agriculture; food science; medicinal; pharmacological

(This special issue belongs to the Section Food Chemistry)

Nanocarriers for Diagnostics, Imaging and Drug Delivery

edited by Jie Pan and Yonghui Liu

submission deadline 30 Dec 2025 | Viewed by 60 | Submission Open

Keywords: nanocarriers; diagnostics; imaging; drug delivery; targeted therapy

(This special issue belongs to the Section Nanochemistry)

X-Ray Spectroscopy of Gas-Phase Biomolecules

edited by Lucas Schwob, Sadia Bari and Marta Berholts

submission deadline 30 Dec 2025 | Viewed by 50 | Submission Open

Keywords: X-ray spectroscopy; gas-phase biomolecules; structure-function relationship; time-resolved spectroscopy; core-level ionization; electronic structure and dynamics; charge migration; theoretical modeling

(This special issue belongs to the Section Analytical Chemistry)

Recent Advances in Structural Characterization by Raman Spectroscopy

edited by

Ioana Stanculescu

submission deadline 30 Dec 2025 | Viewed by 50 | Submission Open

Keywords: Raman; pharmaceuticals; materials research; life sciences; molecular vibrations

(This special issue belongs to the Section Analytical Chemistry)

Covalent Organic Frameworks for Photocatalysis or Fluorescence Detection

edited by

Long Hao

and Bing Han

submission deadline 30 Dec 2025 | Viewed by 47 | Submission Open

Keywords: covalent organic framework (COF); photocatalysis; water splitting; CO2 reduction; H2O2 production; fluorescence detection

(This special issue belongs to the Section Photochemistry)

Phytochemicals from Diet and Medicinal Plants: Chemical Diversity, Delivery Systems and Bioactivity

edited by

Bo Li

submission deadline 31 Dec 2025 | 6 articles | Viewed by 30544 | Submission Open

Keywords: phytochemicals; chemical structure; chemical modification; synthesis; delivery systems; bioactivities; metabolism

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

Advances in Density Functional Theory (DFT) Calculation

edited by

Aleksandr S. Kazachenko

and

Noureddine Issaoui

submission deadline 31 Dec 2025 | 11 articles | Viewed by 29151 | Submission Open

Keywords: DFT; theoretical and computational chemistry; new functional materials; calculations of new materials and catalysts; characterization of the catalytic materials; non-covalent interactions (NCI); biological activities; electronic proprieties; kinetics and catalysis; QTAIM

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

Bioactive Phenolic and Polyphenolic Compounds, 3rd Edition

edited by

Cristina Forzato

submission deadline 31 Dec 2025 | 12 articles | Viewed by 23679 | Submission Open

Keywords: food chemistry; natural products; antioxidants; polyphenols; chromatography; spectroscopy; mass spectrometry; extraction; biological activity; sensors

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

Metal Complexes as Potential Antimicrobial and Antiproliferative Agents

edited by

Mihaela Badea

submission deadline 31 Dec 2025 | 7 articles | Viewed by 22132 | Submission Open

Keywords: metal complexes; antimicrobial activity; antiproliferative activity; cytotoxicity; biofilm

(This special issue belongs to the Section Inorganic Chemistry)

Research on Heterogeneous Catalysis—2nd Edition

edited by

Lin Huang

and

Yinghuai Zhu

submission deadline 31 Dec 2025 | 19 articles | Viewed by 20621 | Submission Open

Keywords: heterogeneous; catalysis; catalyst; surface; reaction

(This special issue belongs to the Section Applied Chemistry)

Probing Pharmacological and Biological Performance of Synthetic and Natural Compounds—2nd Edition

edited by

Chia-che Chang

submission deadline 31 Dec 2025 | 5 articles | Viewed by 14070 | Submission Open

Keywords: natural and synthetic compounds; aging; cancer; cardiovascular diseases; metabolic syndromes; inflammation; oxidative stress; regulated cell death

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

Exclusive Contributions by the Editorial Board Members (EBMs) of the Organic Chemistry Section of Molecules

edited by

Maged Henary

submission deadline 31 Dec 2025 | 11 articles | Viewed by 12948 | Submission Open

Keywords: organic compounds; organic synthesis; organic reaction; click chemistry; organocatalysis

(This special issue belongs to the Section Organic Chemistry)

Drug Delivery Systems Based on Polysaccharides: Second Edition

edited by

Marcel Popa

and

Leonard Ionut Atanase

submission deadline 31 Dec 2025 | 4 articles | Viewed by 12921 | Submission Open

Keywords: polysaccharides; polysaccharide derivatives; hydrogels; micro- and nanoparticles (spheres and capsules); hybrid nanoparticles; functionalized nanoparticles for drug targeting; micelles based on amphiphilic polysaccharides; drug delivery

(This special issue belongs to the Section Macromolecular Chemistry)

Functional Molecules as Novel Cosmetic Ingredients

edited by Jing Wang and Zhong Liu

submission deadline 31 Dec 2025 | 7 articles | Viewed by 12844 | Submission Open

Keywords: synthetic molecules; plant extracts; natural compounds; biotech-derived molecules; natural-derived molecules; fermentation-derived ingredients; biological activity; cosmetics; encapsulation and delivery technologies of ingredients; skin-care; hair-care

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

Featured Papers in Organometallic Chemistry—2nd Edition

edited by

Michal Szostak

submission deadline 31 Dec 2025 | 12 articles | Viewed by 12737 | Submission Open

Keywords: organometallic chemistry; complexes; metals; metal– carbon bonding; main group metals; transition metals; lanthanides; catalysis; ligands; metal chemistry; phosphines; N-heterocyclic carbenes; bipyridines; homogeneous catalysis; cross-coupling; bond activation; ancillary ligands; photoredox catalysis; asymmetric catalysis; crystallography; spectroscopy

(This special issue belongs to the Section Organometallic Chemistry)

Computational Insights into Protein Engineering and Molecular Design

edited by Jianpeng Ma and Gang Xu

submission deadline 31 Dec 2025 | 6 articles | Viewed by 12399 | Submission Open

Keywords: protein engineering; protein design; protein structure prediction; computational molecular docking; drug design; optimizing small molecules; molecular dynamic simulation

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

Feature Papers in Food Chemistry—3rd Edition

edited by

Tristan Richard

and

Mirella Nardini

submission deadline 31 Dec 2025 | 9 articles | Viewed by 12194 | Submission Open

Keywords: food chemistry; functional food; ingredients; bioactivity; antioxidants; food safety and health; food processing

(This special issue belongs to the Section Food Chemistry)

Applied Chemistry in Asia

edited by

Shaojun Yuan

submission deadline 31 Dec 2025 | 11 articles | Viewed by 12090 | Submission Open

Keywords: applied chemistry; new molecules and natural materials; solar energy and photo-electro-catalysis; analytical methods and techniques; electrochemistry and energy; biodegradable materials and medicines; environment and green chemistry

(This special issue belongs to the Section Applied Chemistry)

Natural Antioxidants in Functional Food

edited by

José Miguel Álvarez-Suárez

Montaña Cámara

and

Abishek Santhakumar

submission deadline 31 Dec 2025 | 5 articles | Viewed by 11306 | Submission Open

Keywords: natural antioxidants; bioactive compounds; functional foods; novel foods; exotic foods; health and nutrition claims

(This special issue belongs to the Section Food Chemistry)

Recent Trends of Functional Nanomaterials for Biomedical and Healthcare Applications (2nd Edition)

edited by

Sudeshna Chandra

and

Heinrich Lang

submission deadline 31 Dec 2025 | 5 articles | Viewed by 10563 | Submission Open

Keywords: nanomaterials; implants and wearable devices; drug delivery and therapeutic efficacy; biosensors and bioelectronics; biocompatible and toxicity; bio-imaging and diagnostics; healthcare devices; theranostic platforms

(This special issue belongs to the Section Inorganic Chemistry)

Recent Advances in Computer-Aided Drug Design and Drug Discovery

edited by Jinping Lei and

John Zhang

submission deadline 31 Dec 2025 | 6 articles | Viewed by 10364 | Submission Open

Keywords: computer-aided drug design; structure-based drug design; ligand-based drug design; fragment-based drug design; pharmacophore; QSAR; molecular modelling; artificial intelligence

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

Multifunctional Nanomaterials for Bioapplications, 2nd Edition

edited by

Libing Liu

submission deadline 31 Dec 2025 | 6 articles | Viewed by 9699 | Submission Open

Keywords: composite nano-materials; multifunctional nano-materials; imaging; biosensor; drug loading; antitumor; antibacterial; regeneration; PDT; PTT

(This special issue belongs to the Section Medicinal Chemistry)

Functional Nanomaterials for Biosensors and Biomedicine Application

edited by

Liqiang Luo

and Xiaoqiang Liu

submission deadline 31 Dec 2025 | 5 articles | Viewed by 9482 | Submission Open

Keywords: functional nanomaterials; biosensors; biomedicine; drug delivery; biotherapy

(This special issue belongs to the Section Applied Chemistry)

Porous Organic Materials: Design and Applications: Volume II

edited by

Yan’an Gao

and Qi Chen

submission deadline 31 Dec 2025 | 6 articles | Viewed by 7691 | Submission Open

Keywords: topology design; synthesis; structure— function correlation; adsorption and separation; catalysis; energy storage and conversion; mass transportation; biological application

(This special issue belongs to the Section Materials Chemistry)

Chromatography and Spectrometry in Food Safety and Pharmaceutical Analysis

edited by

Małgorzata Dołowy

Josef Jampilek

and

Katarzyna Bober-Majnusz

submission deadline 31 Dec 2025 | 3 articles | Viewed by 7658 | Submission Open

Keywords: pharmaceutical analysis; chromatography; HPLC; TLC; GC; food quality control; bioactive compounds; spectrometry; QSAR; QSPR

(This special issue belongs to the Section Analytical Chemistry)

The 30th Anniversary of Molecules—Recent Advances in Chemical Biology

edited by

Akinori Kuzuya

Daisuke Miyoshi

and

Camila C. Portugal

submission deadline 31 Dec 2025 | 6 articles | Viewed by 7475 | Submission Open

Keywords: bioorthogonal chemistry; peptides; nucleic acids; proteins; analytical methods; chemical inhibitors; chemical probe; ubiquitination; structure-activity relationship

(This special issue belongs to the Section Chemical Biology)

Natural Products as New Antiviral/Antiparasitic/Antibacterial/Antimicrobial Treatment Options

edited by

Laura De Martino

and

Dejan S. Pljevljakušić

submission deadline 31 Dec 2025 | 4 articles | Viewed by 6796 | Submission Open

Keywords: natural products; antiviral compounds; antiparasitic agents; antibacterial properties; antimicrobial activity; drug-resistant pathogens; plant-derived compounds; microbial sources; terpenoids; alkaloids; phenols; flavonoids; antimicrobial peptides

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

New Insight into Edible Oil: From Food Chemistry to Health Benefits

edited by

Magdalena Rudzińska

submission deadline 31 Dec 2025 | 4 articles | Viewed by 6147 | Submission Open

Keywords: edible oils; fats; structured lipids; bioactive compounds; quality; stability; degradation; contamination

(This special issue belongs to the Section Food Chemistry)

Cutting-Edge Progress in Natural Product-Derived Antimicrobial Drugs

edited by

Feng Lu

Weicheng Hu

and

Jin Hee Han

submission deadline 31 Dec 2025 | 3 articles | Viewed by 6142 | Submission Open

Keywords: natural products; structural elucidation; bio-activity guided isolation; pathogen; antimicrobial

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

Developments in Conducting Polymers: Applications for Electrochemistry

edited by

Maria Manuela Silva

submission deadline 31 Dec 2025 | 3 articles | Viewed by 5815 | Submission Open

Keywords: conducting polymers; sensors; electrochemical applications; batteries

(This special issue belongs to the Section Macromolecular Chemistry)

An Insight into Medicinal Chemistry of Anticancer Drugs

edited by Gabriela Figueroa-González and

Hernán Cortés

submission deadline 31 Dec 2025 | 1 articles | Viewed by 5756 | Submission Open

Keywords: natural products; anticancer; synthesis; drug resistance; multitargeted therapy

(This special issue belongs to the Section Medicinal Chemistry)

30th Anniversary of Molecules—Recent Advances in Organic Chemistry

edited by

Maria G. P. M. S. Neves

, Antonia Di Mola and

Nuno M. M. Moura

submission deadline 31 Dec 2025 | 8 articles | Viewed by 5584 | Submission Open

Keywords: organic synthesis; organic chemistry research; theoretical study; reaction mechanisms; catalysis

(This special issue belongs to the Section Organic Chemistry)

Functional Nanomaterials for Energy and Environmental Sustainability

edited by Dezhi Chen, Junfei Liang and

Wei Wei

submission deadline 31 Dec 2025 | 5 articles | Viewed by 5523 | Submission Open

Keywords: functional nanomaterials; resource recovery; secondary batteries; supercapacitors; water purification; carbon capture; VOC elimination

(This special issue belongs to the Section Applied Chemistry)

Heterocyclic Chemistry with Applications (Second Edition)

edited by Hachemi Kadri and

Fawaz Aldabbagh

submission deadline 31 Dec 2025 | 4 articles | Viewed by 5460 | Submission Open

Keywords: heterocycles; medicinal chemistry; natural products; organic synthesis; synthetic methods; drug discovery; nucleosides; biologically active heterocycles

(This special issue belongs to the Section Organic Chemistry)

Phytochemical Profiling, Bioactivity, Biotechnology Studies and Practical Applications of Medicinal and Cosmetic Plants

edited by

Agnieszka Szopa

Magdalena Anna Malinowska

and

Ekaterina-Michaela Tomou

submission deadline 31 Dec 2025 | 5 articles | Viewed by 5341 | Submission Open

Keywords: plant metabolites; plant biotechnology; bioactive natural compounds; natural products metabolomics; pharmacological activity of natural compounds; cosmetic applications of natural compounds; isolation of natural compounds; essential oils; biological activity of natural compounds; in vitro approach; in vivo approach; clinical investigations; ethnopharmacological indications; ethnobotanical indications; technology of cosmetic formulations; skin permeability; irritating potential; agricultural practices

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

Phytochemicals as Valuable Tools for Fighting Metabolic Disorders

edited by Anna Ramunno and

Francesca Aiello

submission deadline 31 Dec 2025 | 2 articles | Viewed by 4861 | Submission Open

Keywords: phytochemicals; metabolic disorders; obesity; diabetes; antioxidants; therapeutic applications

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

Featured Reviews in Organic Chemistry 2025

edited by

Roman Dembinski

submission deadline 31 Dec 2025 | 2 articles | Viewed by 4780 | Submission Open

(This special issue belongs to the Section Organic Chemistry)

Synthesis and Applications of Natural Polymers and Their Derivatives

edited by

Misu Moscovici

Guibin Wang

and

Alejandro Rodríguez Pascual

submission deadline 31 Dec 2025 | 3 articles | Viewed by 4699 | Submission Open

Keywords: biological synthesis; semisynthetic derivatives; polysaccharides and polyhydroxyalkanoates; fungal proteins; processing techniques; composites; nanoparticles; biomedical; pharmaceutical; drug delivery systems; food protection applications

(This special issue belongs to the Section Macromolecular Chemistry)

Chemical Profiling of Plant Extracts with Antioxidant Activity: Identification of Bioactive Compounds

edited by

Marcos Soto-Hernández

submission deadline 31 Dec 2025 | 2 articles | Viewed by 4566 | Submission Open

Keywords: flavonoids; phenolic acids; terpenoids; anthocyanins; antioxidant activity; chemical profiling

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

Photochemistry in Asia

edited by

Jianzhang Zhao

submission deadline 31 Dec 2025 | 6 articles | Viewed by 4548 | Submission Open

Keywords: photochemistry; photophysics; photocatalysts; synthetic photochemistry; photoelectrochemistry; computational photochemistry; luminescent molecular sensors; nanomaterials; electron transfer; energy transfer

(This special issue belongs to the Section Photochemistry)

New Sights in Nanomaterials for Photoelectrochemistry

edited by Yibo Yan

submission deadline 31 Dec 2025 | 2 articles | Viewed by 4527 | Submission Open

Keywords: photoelectrochemical catalysis; photoelectrochemical cells; photoelectrochemical sensors; photoelectrochemical characterizations; photoelectrochemical conversion; photoelectrochemical transformations; optoelectronic devices; photoelectrochemical CO2 reduction

(This special issue belongs to the Section Nanochemistry)

Exclusive Feature Papers in Synthetic Medicinal Chemistry

edited by

Michail Christodoulou

and

Constantinos Athanassopoulos

submission deadline 31 Dec 2025 | 4 articles | Viewed by 4510 | Submission Open

Keywords: antitumor activity; antibacterial activity; natural and synthetic compounds

(This special issue belongs to the Section Organic Chemistry)

Biological Activities of Traditional Medicinal Plants, 2nd Edition

edited by

Maria Fernanda Taviano

Rosaria Acquaviva

and

Giuseppe Antonio Malfa

submission deadline 31 Dec 2025 | 4 articles | Viewed by 4241 | Submission Open

Keywords: traditional medicinal plants; ethnobotany; bioactive compounds; extraction strategies; phytochemical profiling; biological activities; health applications; nutraceuticals

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

The 30th Anniversary of Molecules—Recent Advances in Natural Products Chemistry

edited by

Daniela Rigano

Maria Camilla Bergonzi

Dimitris P. Makris

and

Kyoko Nakagawa-Goto

submission deadline 31 Dec 2025 | 4 articles | Viewed by 4174 | Submission Open

Keywords: natural compounds; bioactive molecules; drug discovery; pharmacological activity; formulations; drug delivery systems; food applications and additives; cosmetic applications; synthesis

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

Characterization and Instrumental Analysis of Aroma-Active Compounds in Fermented Food and Beverage, the Second Edition

edited by

Yanping L. Qian

submission deadline 31 Dec 2025 | 4 articles | Viewed by 4141 | Submission Open

Keywords: fermentation; fermented food production; fermented food flavor; aroma characterization; gas chromatography– mass spectrometry/olfactory (GC-MS/O); Sensorial properties; HS-SPME; stir bar and thin-film sorptive extraction

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

Bioactive Compounds and Small Molecules with Neuroprotective and Anti-Inflammatory Functions

edited by

Chiara Porro

submission deadline 31 Dec 2025 | 4 articles | Viewed by 4131 | Submission Open

Keywords: bioactive foods; small molecules; neuroprotection; anti-inflammatory; inflammasome; neurodegeneration

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

Analysis and Biological Evaluation of Bioactive Compounds from Natural Sources, 2nd Edition

edited by Luana Pulvirenti and Rosanna Avola

submission deadline 31 Dec 2025 | 5 articles | Viewed by 4020 | Submission Open

Keywords: natural products; natural product chemistry; polyphenols; vegetable extract profiling; herbal medicine; phytochemicals; biological applications of natural products; mechanism of action

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

Displaying special issue 451-500 on page 10 of 20.

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