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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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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 13902 | 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)

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

edited by

Sudeshna Chandra

and

Heinrich Lang

submission deadline 31 Dec 2025 | 6 articles | Viewed by 13480 | 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)

Heterocyclic Compounds: Synthesis, Application and Theoretical Study

edited by

Karolina Kula

submission deadline 31 Dec 2025 | 7 articles | Viewed by 12880 | Submission Open

Keywords: synthesis and transformation of heterocycles; structural chemistry; reaction mechanisms; stereochemistry; regiochemistry; quantum chemical computations; biological activity of heterocyclic compounds; green chemistry

(This special issue belongs to the Section Organic 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 12530 | Submission Open

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

(This special issue belongs to the Section Medicinal Chemistry)

Multifunctional Nanomaterials for Bioapplications, 2nd Edition

edited by

Libing Liu

submission deadline 31 Dec 2025 | 6 articles | Viewed by 12354 | 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)

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

edited by

Chiara Porro

submission deadline 31 Dec 2025 | 4 articles | Viewed by 12185 | Submission Open

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

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

Functional Nanomaterials for Biosensors and Biomedicine Application

edited by

Liqiang Luo

and Xiaoqiang Liu

submission deadline 31 Dec 2025 | 5 articles | Viewed by 12074 | Submission Open

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

(This special issue belongs to the Section Applied 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 12013 | 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)

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 | 9 articles | Viewed by 11777 | Submission Open

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

(This special issue belongs to the Section Organic Chemistry)

Photochemistry in Asia

edited by

Jianzhang Zhao

submission deadline 31 Dec 2025 | 10 articles | Viewed by 11348 | 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)

Synthesis of Bioactive Compounds, 3rd Edition

edited by

Brindusa Tiperciuc

submission deadline 31 Dec 2025 | 10 articles | Viewed by 11320 | Submission Open

Keywords: biological activity; nature-derived molecules; heterocyclic moieties; aromatic species; structural diversity; alkaloids; organic synthesis

(This special issue belongs to the Section Organic 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 10960 | Submission Open

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

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

Bioactive Compounds from Natural Sources: Discovery, Evaluation and Applications, 2nd Edition

edited by

Tao Liu

Clementina Manera

and

Francesca Gado

submission deadline 31 Dec 2025 | 6 articles | Viewed by 10546 | Submission Open

Keywords: bioactive compound; natural product; isolation; synthesis; structural elucidation; bioactivity evaluation

(This special issue belongs to the Section Natural Products 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 | 4 articles | Viewed by 10381 | 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)

Design, Modifications, and Medical Application of Polymer-Based Materials

edited by

Fusun Ozer

submission deadline 31 Dec 2025 | 4 articles | Viewed by 10210 | Submission Open

Keywords: polymer-based materials; synthetic polymers; drug delivery systems; biocompatibility; biomaterials; tissue engineering; wound healing; medical devices

(This special issue belongs to the Section Materials Chemistry)

Porous Organic Materials: Design and Applications: Volume II

edited by

Yan’an Gao

and Qi Chen

submission deadline 31 Dec 2025 | 7 articles | Viewed by 9838 | 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)

Featured Reviews in Organic Chemistry 2025

edited by

Roman Dembinski

submission deadline 31 Dec 2025 | 3 articles | Viewed by 9677 | Submission Open

(This special issue belongs to the Section Organic Chemistry)

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 9494 | 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)

Exclusive Feature Papers in Synthetic Medicinal Chemistry

edited by

Michail Christodoulou

and

Constantinos Athanassopoulos

submission deadline 31 Dec 2025 | 4 articles | Viewed by 8766 | 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 | 6 articles | Viewed by 8632 | 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)

Role of Natural Products in Inflammation

edited by

Katarína Bauerová

submission deadline 31 Dec 2025 | 6 articles | Viewed by 8618 | Submission Open

Keywords: inflammation; natural compounds; terrestrial plants; marine plants; NF-kB; hemoxygenase and cyclooxygenase pathways

(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 8465 | Submission Open

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

(This special issue belongs to the Section Food Chemistry)

Phytochemicals as Valuable Tools for Fighting Metabolic Disorders

edited by Anna Ramunno and

Francesca Aiello

submission deadline 31 Dec 2025 | 3 articles | Viewed by 8189 | Submission Open

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

(This special issue belongs to the Section Natural Products 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 | 6 articles | Viewed by 7980 | 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)

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

edited by Luana Pulvirenti and Rosanna Avola

submission deadline 31 Dec 2025 | 7 articles | Viewed by 7664 | 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)

Developments in Conducting Polymers: Applications for Electrochemistry

edited by

Maria Manuela Silva

submission deadline 31 Dec 2025 | 3 articles | Viewed by 7358 | Submission Open

Keywords: conducting polymers; sensors; electrochemical applications; batteries

(This special issue belongs to the Section Macromolecular 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 6923 | 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)

Analytical Chemistry in Asia, 2nd Edition

edited by

Makoto Tsunoda

submission deadline 31 Dec 2025 | 5 articles | Viewed by 6902 | Submission Open

Keywords: analytical chemistry; Asia; HPLC; sample preparation; bioanalysis; mass spectrometry

(This special issue belongs to the Section Analytical Chemistry)

Renewable Energy, Fuels and Chemicals from Biomass, 2nd Edition

edited by

Zhuozhi Wang

and

Boxiong Shen

submission deadline 31 Dec 2025 | 5 articles | Viewed by 6708 | Submission Open

Keywords: biomass conversion technologies; renewable energy; biofuel synthesis; catalytic biomass transformation; bioethanol; biodiesel; green/sustainable chemistry; biotechnological applications

(This special issue belongs to the Section Applied 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 6655 | 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)

Heterocyclic Chemistry with Applications (Second Edition)

edited by Hachemi Kadri and

Fawaz Aldabbagh

submission deadline 31 Dec 2025 | 4 articles | Viewed by 6647 | 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)

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 6518 | 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)

Nanostructured Materials: Synthesis, Functionalization and Applications in Biomedicine—2nd Edition

edited by

Ying-Jie Zhu

Heng Li

and Hanping Yu

submission deadline 31 Dec 2025 | 5 articles | Viewed by 6385 | Submission Open

Keywords: nanostructured materials; biomaterials; dental materials; biomedicine; biomedical applications; drug delivery; bone defect repair; orthopedic surgery; skin wound healing; anti-tumor; biosensing; bioimaging; diagnosis; therapy

(This special issue belongs to the Section Nanochemistry)

Synthesis, Modification and Application of Heterocyclic Compounds

edited by

Xinwei He

and Yongjia Shang

submission deadline 31 Dec 2025 | 4 articles | Viewed by 6245 | Submission Open

Keywords: heterocyclic compounds; synthesis; modification; asymmetric catalysis; cyclization; natural products

(This special issue belongs to the Section Organic Chemistry)

Anticancer Natural Products

edited by Zongtao Tom Lin

submission deadline 31 Dec 2025 | 3 articles | Viewed by 6226 | Submission Open

Keywords: anticancer; drug discovery; chemical biology; natural products; analytical methods; bioactive compounds; cancer therapy

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

Essential Oils—Third Edition

edited by

Laura De Martino

submission deadline 31 Dec 2025 | 5 articles | Viewed by 6195 | Submission Open

Keywords: essential oils; volatile organic compounds (VOCs); chemical fingerprinting; isoprenoids; gas chromatography-mass spectrometry (GC-MS); nuclear magnetic resonance (NMR) spectroscopy; physiological functions of essential oils in plants; molecular mechanisms of essential oils; in vitro and in vivo bioactivities; antimicrobial agents; anti-infective properties; antioxidant potential; allelopathic interactions; biosynthetic pathways; extraction techniques

(This special issue belongs to the Section Natural Products 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 5849 | 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)

Virgin Olive Oil: Processing, Byproducts, Quality Control, and Nutraceutical Profile—3rd Edition

edited by

Carlotta Breschi

Lorenzo Cecchi

and

Maria Bellumori

submission deadline 31 Dec 2025 | 3 articles | Viewed by 5661 | Submission Open

Keywords: virgin olive oil quality authentication; byproduct management; volatile compounds; phenolic compounds; sensory analysis; health-promoting properties; biological activity; authentication of origin; innovative extraction processes

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

Food Bioactive Components in Functional Foods and Nutraceuticals

edited by

Maria Aspri

Dimitrios Tsaltas

and

Vlasios Goulas

submission deadline 31 Dec 2025 | 4 articles | Viewed by 5638 | Submission Open

Keywords: functional foods; nutraceuticals; bioactive compounds; health benefits; disease prevention; bioavailability

(This special issue belongs to the Section Food Chemistry)

Synthesized and Functionalized Nanoparticles in Natural Compounds

edited by

Federica Valentini

submission deadline 31 Dec 2025 | 2 articles | Viewed by 5531 | Submission Open

Keywords: nanoparticles; green synthesis; two step-based mechanism growth for nanostructures; template synthetic approach; essential oil (EO); functionalized nanoparticles; shape factor (SF); antibacterial features; cytotoxicity properties; cultural heritage reparation; drug delivery and discovery; nano-carrier in biotechnologies

(This special issue belongs to the Section Materials Chemistry)

(Mass Spectrometric) Non Target Screening–Techniques and Strategies: Volume II

edited by

Thomas Letzel

submission deadline 31 Dec 2025 | 4 articles | Viewed by 5483 | Submission Open

Keywords: mass spectrometric non-target screening; NTS workflows; NTS strategies; NTS techniques (separation; ionization; detection); HPLC; SFC; GC; CE; HRMS; MS/MS; NTS software solutions; NTS open access software; NTS data evaluation; NTS and quality management

(This special issue belongs to the Section Analytical Chemistry)

Innovative Technologies for Functional Foods Development

edited by

Maria Ciudad-Mulero

Patricia Morales

and

Virginia Fernández-Ruiz

submission deadline 31 Dec 2025 | 3 articles | Viewed by 5449 | Submission Open

Keywords: nutraceuticals; functional foods; plant ingredients; phytochemicals; health claims; in vitro and in vivo studies

(This special issue belongs to the Section Food 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 5372 | Submission Open

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

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

New Sights in Nanomaterials for Photoelectrochemistry

edited by Yibo Yan

submission deadline 31 Dec 2025 | 2 articles | Viewed by 5358 | 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)

Advanced Oxidation/Reduction Processes in Water Treatment

edited by Fuxiang Tian and Yuqiong Gao

submission deadline 31 Dec 2025 | 4 articles | Viewed by 5337 | Submission Open

Keywords: advanced oxidation processes; advanced reduction processes; disinfection byproducts; hybrid treatment processes; micropollutant removal; emerging contaminant removal

(This special issue belongs to the Section Green Chemistry)

Exclusive Feature Papers in Inorganic Chemistry, 3rd Edition

edited by

Andrea Bencini

Vito Lippolis

and

Matteo Savastano

submission deadline 31 Dec 2025 | 5 articles | Viewed by 5277 | Submission Open

Keywords: coordination chemistry; metal complexes; metal-based assemblies; inorganic anions; inorganic materials; coordination polymers; functional materials; chemosensors

(This special issue belongs to the Section Inorganic Chemistry)

Biomass Materials in Materials Chemistry: Preparation and Characterization, 2nd Edition

edited by

Caiqin Qin

submission deadline 31 Dec 2025 | 3 articles | Viewed by 5150 | Submission Open

Keywords: biomass material (including chitosan; chitin; starch; and biomass waste); catalyst; food packing; coating and film; adsorption

(This special issue belongs to the Section Materials Chemistry)

Feature Papers in Photochemistry and Photocatalysis—2nd Edition

edited by

Barbara Bonelli

submission deadline 31 Dec 2025 | 6 articles | Viewed by 5039 | Submission Open

Keywords: photocatalytic processes; quantum yield; solar light; upconversion; heterojunctions

(This special issue belongs to the Section Photochemistry)

Advances in Photocatalytic Degradation of Organic Pollutants

edited by Qianqian Liu, Quan Zhang and

Jing Ding

submission deadline 31 Dec 2025 | 3 articles | Viewed by 4978 | Submission Open

Keywords: photocatalysis; photocatalytic degradation of organic pollutants; functional materials; semiconductor photocatalysts; DFT

(This special issue belongs to the Section Green Chemistry)

Chemistry and Health: Nitrogen Heterocycle Chemistry and Medicinal Chemistry, 2nd Edition

edited by

Costel Moldoveanu

submission deadline 31 Dec 2025 | 4 articles | Viewed by 4923 | Submission Open

Keywords: heterocycles; azines; azoles; anticancer; anti-tuberculosis; antimicrobial; growth factors

(This special issue belongs to the Section Medicinal Chemistry)

Displaying special issue 151-200 on page 4 of 21.

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