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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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Natural Products and Microbiology in Human Health, 2nd Edition

edited by

Ian Edwin Cock

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

Keywords: traditional medicine; antibiotics; antibiotic natural products; probiotics; novel antimicrobial therapies; microbial toxins; phytochemicals; antibiotic-resistant bacteria; drug potentiation

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

Pharmacological Evaluation and Phytochemical Analysis of Natural Products, 2nd Edition

edited by

Sergio Faloni de Andrade

submission deadline 30 Jun 2026 | Viewed by 16 | Submission Open

Keywords: natural products; phytochemistry; pharmacological evaluation; secondary metabolites; phytochemical analysis

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

Advanced Electrode Materials and Interfaces for Next-Generation Solid-State Batteries

edited by

Helena Braga

submission deadline 30 Jun 2026 | Viewed by 15 | Submission Open

Keywords: all-solid-state batteries; interfaces; electrodes; lithium; sodium; sulfides; oxides; halides

(This special issue belongs to the Section Electrochemistry)

Targeted Therapies: Design, Synthesis, and Biological Evaluation

edited by

Dimitra Hadjipavlou-Litina

, Amit Nathubhai and

Stephanie Myers

submission deadline 30 Jun 2026 | Viewed by 15 | Submission Open

Keywords: rational and/or structure-based design; organic synthesis; structure– activity relationships; lead optimization; biochemical analysis (assays); DMPK; targeted therapies— inhibitors against known target; prodrugs; receptors as targets

(This special issue belongs to the Section Medicinal Chemistry)

Biologically Active Nitrogen-Containing Heterocyclic Compounds

edited by Monika Wujec and Sara Janowska

submission deadline 30 Jun 2026 | Viewed by 7 | Submission Open

Keywords: nitrogen-containing heterocyclic compounds; biological activity; drug design; molecular docking; synthesis; structure– activity relationship (SAR); medicinal chemistry; bioactive molecule

(This special issue belongs to the Section Medicinal Chemistry)

Porous Materials: Synthetic Strategies and Applications, 2nd Edition

edited by

Mei Hong

submission deadline 30 Jun 2026 | Submission Open

Keywords: porous materials; synthesis; metal– organic frameworks; zeolites; inorganic– organic hybrids

(This special issue belongs to the Section Materials Chemistry)

Alternative Routes for the Delivery of Drug Molecules

edited by

Denitsa Momekova

Christina Voycheva

and Teodora Popova

submission deadline 1 Jul 2026 | Viewed by 117 | Submission Open

Keywords: transdermal; nasal; pulmonary; ophthalmic; liposomes; dendrimers; microneedles; cubosomes

(This special issue belongs to the Section Medicinal Chemistry)

Synthesis and Application of Heteroatomic Containing Compounds

edited by

György Keglevich

submission deadline 1 Jul 2026 | Viewed by 9 | Submission Open

Keywords: organometallic syntheses; heteroatomic asymmetry center; P-stereogenic center; asymmetric syntheses; enantioselective syntheses; transition metal complexes

(This special issue belongs to the Section Applied Chemistry)

Design and Application of Functional Supramolecular Materials

edited by

Jie Yang

submission deadline 9 Jul 2026 | 1 articles | Viewed by 799 | Submission Open

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

(This special issue belongs to the Section Materials Chemistry)

Nanomaterial-Based Biosensors: From Design to Analytical Applications

edited by Irene Ojeda and Diana Vilela-Garcia

submission deadline 15 Jul 2026 | Viewed by 6 | Submission Open

Keywords: nanomaterial-based biosensors; nanomaterials; electrochemical biosensors; nanocomposites; analytical chemistry; electrode modification; nanostructures; sensor interfaces; electroanalysis; biofunctionalization

(This special issue belongs to the Section Nanochemistry)

The Design and Synthesis of Nanomaterials for Electrochemical Energy Storage and Conversion

edited by Yan Zhou and Zhen Wu

submission deadline 16 Jul 2026 | Viewed by 2 | Submission Open

Keywords: electrochemical energy storage; electrochemical energy conversion; batteries; supercapacitors; nanostructured electrode materials; nanostructured electrocatalysts

(This special issue belongs to the Section Applied Chemistry)

Chemistry, Bioactivity and Authenticity of Sugar-Rich and Fermented Foods and Beverages

edited by

Svetlana Simova

and

Dessislava Gerginova

submission deadline 20 Jul 2026 | Viewed by 37 | Submission Open

Keywords: sugar-rich foods; fermented beverages; chemical characterization; analytical techniques; bioactive compounds; metabolomics; authenticity; food control

(This special issue belongs to the Section Food Chemistry)

Small-Molecule Inhibitors as Anticancer Drugs

edited by

Magdalena Stobiecka

submission deadline 30 Jul 2026 | Viewed by 149 | Submission Open

Keywords: small-molecule apoptosis-protein-family inhibitors; small-molecule mitotic inhibitors; small-molecule kinase inhibitors; small-molecule receptor tyrosine kinase inhibitors; small-molecule non-receptor tyrosine kinase inhibitors; small-molecule serine/threonine kinase inhibitors; small-molecule epigenetic inhibitors; small-molecule proteasome inhibitors; small-molecule inhibitors for disrupting protein– protein interactions; small-molecule inhibitors aimed at exploiting tumor metabolic vulnerabilities

(This special issue belongs to the Section Medicinal Chemistry)

Advanced Materials for Energy Applications: From Fuels to Batteries and Beyond, 2nd Edition

edited by

Zhao Ding

submission deadline 30 Jul 2026 | Viewed by 83 | Submission Open

Keywords: hydrogen storage materials; CO2 capture; natural gas sweetening; fossil fuel recovery

(This special issue belongs to the Section Materials Chemistry)

Plant Bioactives in Human Health: From Phytochemistry to Molecular Mechanisms

edited by

Valeria Naponelli

and

Elena Ferrari

submission deadline 30 Jul 2026 | Viewed by 6 | Submission Open

Keywords: bioactive compounds; bioavailability; extraction methods; biological activities; cell signalling; functional applications; nutraceuticals; human metabolism; toxicity; bioactive-gut microbiota relationships

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

Research Progress and Application of Natural Compounds—2nd Edition

edited by

Claudiu N. Lungu

and

Ionel Mangalagiu

submission deadline 31 Jul 2026 | 6 articles | Viewed by 10955 | Submission Open

Keywords: natural products; primary and secondary metabolites; bioactive compounds; bioactive peptides; anticancer natural products; flavonoids; drug design

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

30th Anniversary of Molecules—Recent Advances in Applied Chemistry

edited by

Bhanu P. S. Chauhan

and

Shijun Liao

submission deadline 31 Jul 2026 | 7 articles | Viewed by 8813 | Submission Open

Keywords: applied chemistry; new molecules and natural materials; analytical methods and techniques; electrochemistry and energy; biodegradable materials and medicines; environment and green chemistry; theoretical chemistry

(This special issue belongs to the Section Applied Chemistry)

Photocatalytic Materials and Photocatalytic Reactions, 2nd Edition

edited by

Sugang Meng

and

Bo Weng

submission deadline 31 Jul 2026 | 7 articles | Viewed by 8807 | Submission Open

Keywords: photocatalysts; carbon neutral; charge carrier separation; photocatalytic mechanism; photoredox reaction; nanocomposites

(This special issue belongs to the Section Photochemistry)

Lignin: New Insights in Chemistry

edited by

Chiaki Ogino

submission deadline 31 Jul 2026 | 1 articles | Viewed by 3576 | Submission Open

Keywords: lignin valorization; catalytic depolymerization; enzymatic lignin transformation; thermochemical processes; lignin-derived fine chemicals; synthetic biology in lignin research; circular bioeconomy

(This special issue belongs to the Section Green Chemistry)

Synthesis, Identification and Biological Evaluation of Novel Natural and Derivative Products

edited by

Elson S. Alvarenga

submission deadline 31 Jul 2026 | 1 articles | Viewed by 2873 | Submission Open

Keywords: organic synthesis; natural products; theoretical calculation; DFT; structure identification; biological evaluation

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

Unveiling the Applications of Bioactive Compounds in Functional Foods for Optimal Human Health—2nd Edition

edited by

Xiangkai Li

and

Aman Khan

submission deadline 31 Jul 2026 | 1 articles | Viewed by 1363 | Submission Open

Keywords: functional foods; bioactive ingredients; health benefits; immune function; gut health; disease prevention

(This special issue belongs to the Section Food Chemistry)

Terpenes and Their Derivatives: From Nature to Medical Applications

edited by

Linfu Liang

Anwar Rayan

and

Barbara De Filippis

submission deadline 31 Jul 2026 | 2 articles | Viewed by 1315 | 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)

Extraction Techniques for Sample Preparation

edited by

Vincenzo Ferrone

and

Pantaleone Bruni

submission deadline 31 Jul 2026 | 1 articles | Viewed by 1307 | Submission Open

Keywords: sorbent-based extraction; liquid-based extraction; supercritical- or subcritical-based extraction; HPLC determination; GC determination; LC-MS-based analysis; chemical fingerprinting

(This special issue belongs to the Section Analytical Chemistry)

Design and Preparation of New Metal Catalysts for Functional Organic Compounds Synthesis

edited by

Giorgio Facchetti

submission deadline 31 Jul 2026 | 1 articles | Viewed by 1288 | Submission Open

Keywords: transition metal complexes; hybrid catalysts; nanocatalysts; single-atom catalysts; sustainable organic synthesis; natural products

(This special issue belongs to the Section Organometallic Chemistry)

Indole Derivatives: Synthesis and Application III

edited by

David StC Black

and

Naresh Kumar

submission deadline 31 Jul 2026 | 1 articles | Viewed by 696 | Submission Open

Keywords: organic synthesis; natural products; heterocyclic compounds; ring cyclisations; metal complexes; organometallic compounds; polymers; molecular rearrangements; biological activity

Extraction, Chromatography, and Mass Spectrometry Analysis of Food and Plant Biomolecules

edited by

Jorge Pereira

and

Natalia Casado Navas

submission deadline 31 Jul 2026 | 1 articles | Viewed by 583 | Submission Open

Keywords: liquid chromatography; gas chromatography; sample preparation; extraction; supercritical fluid extraction; solid-phase extraction; liquid– liquid extraction

(This special issue belongs to the Section Analytical Chemistry)

Anti-Inflammatory and Antimicrobial Compounds and Extracts from Plant Sources

edited by

Catherine C. Neto

and

Hang Ma

submission deadline 31 Jul 2026 | Viewed by 287 | Submission Open

Keywords: phytochemicals; anti-inflammatory; antimicrobial; plants; extracts; botanicals; metabolites; functional foods

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

Kinetic and Mechanistic Studies on Multifunctional Antioxidants

edited by

Adriana Perez-Gonzalez

submission deadline 31 Jul 2026 | Viewed by 162 | Submission Open

Keywords: thermodynamic; kinetic; quantum chemistry; reaction paths; oxidative stress; protective effect; ROS inhibition; reactivity

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

Advances in Sustainable and Functional Bio-Based Porous Materials for Environmental Remediation

edited by

Qiangu Yan

and Yufei Nan

submission deadline 31 Jul 2026 | Viewed by 151 | Submission Open

Keywords: bio-based materials; porous structure; adsorption of heavy metals/organics/dyes/microplastics; sustainable processing

(This special issue belongs to the Section Materials Chemistry)

Discovery and Structure Optimization of Antibacterial Natural Products

edited by

Yong Guo

submission deadline 31 Jul 2026 | Viewed by 130 | Submission Open

Keywords: natural products; structure optimization; antibiotic discovery; antibacterial activity; scaffold diversity

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

Synthesis and Biological Properties of Natural Product Analogues

edited by

Zhiran Ju

and

Lijian Ding

submission deadline 31 Jul 2026 | Viewed by 121 | Submission Open

Keywords: natural product analogues; synthesis; biological evaluation; structure– activity relationship (SAR); NP-based therapeutic agents; pharmacophores

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

Recent Advances in Chemical Treatments of Wastewater

edited by

Yi Yang

and

Fuqiang Fan

submission deadline 31 Jul 2026 | Viewed by 97 | Submission Open

Keywords: wastewater treatment processes; purification mechanism; environmental remediation materials; water reuse

(This special issue belongs to the Section Green Chemistry)

Biocatalysis in Deep Eutectic Solvents: Stability, Immobilization and Applications

edited by

Nadia Guajardo

and

Nicolás F. Gajardo-Parra

submission deadline 31 Jul 2026 | Viewed by 93 | Submission Open

Keywords: biocatalysis; deep eutectic solvents; enzyme stability; enzyme selectivity; enzyme immobilization; reaction medium; enzymatic reactors; enzyme molecular dynamics

(This special issue belongs to the Section Green Chemistry)

The Chemistry of Food Quality Changes During Processing and Storage

edited by

Bartosz Kruszewski

submission deadline 31 Jul 2026 | Viewed by 74 | Submission Open

Keywords: innovative processing; microbiological quality; mitigation strategies; processing optimization; shelf life extension; physicochemical changes; nutritional value; antioxidant capacity

(This special issue belongs to the Section Food Chemistry)

Applications of Agro-Industrial By-Products in Health and Beauty: Innovative Strategies and Applications

edited by

Faezeh Fathi

and

Maria Beatriz Prior Pinto Oliveira

submission deadline 31 Jul 2026 | Viewed by 70 | Submission Open

Keywords: valorization of by-products; bioactive compounds; extraction technologies; delivery systems (micro/nano-carriers); health and skin applications

(This special issue belongs to the Section Food Chemistry)

Essential Oils in Human Health—2nd Edition

edited by

Giulia Vanti

and

Ekaterina-Michaela Tomou

submission deadline 31 Jul 2026 | Viewed by 65 | Submission Open

Keywords: essential oils; extraction; characterization; composition; biological properties

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

Computational Approaches in Pharmaceutical Chemistry: Challenges and Opportunities

edited by

Roberta Rocca

submission deadline 31 Jul 2026 | Viewed by 61 | Submission Open

Keywords: molecular docking; protein– ligand interactions; structure-based and ligand-based virtual screening; molecular dynamics; pharmacophore modeling; enhanced sampling methods; drug discovery; lead optimization

(This special issue belongs to the Section Medicinal Chemistry)

Recent Advances in Amino Acid-Based Ionic Liquids

edited by

Maya Guncheva

submission deadline 31 Jul 2026 | Viewed by 57 | Submission Open

Keywords: synthesis; physicochemical properties; theoretical studies; functional materials; drug formulation; (bio)separation; (bio)catalysis; toxicity

(This special issue belongs to the Section Molecular Liquids)

Synthesis, Characterization and Applications of Vitrimers

edited by

Giulio Malucelli

Alberto Mariani

and

Daniele Nuvoli

submission deadline 31 Jul 2026 | Viewed by 52 | Submission Open

Keywords: vitrimers; covalent adaptive networks; dynamic exchangeable linkages; recyclability; reshapeability; self-healing

(This special issue belongs to the Section Materials Chemistry)

Chemical Research on Advanced Nanomaterials for Promoting Sustainability

edited by

Ajay Kumar Mishra

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

Keywords: nanomaterials; photocatalysis; adsorption; biodegradability; sustainability

(This special issue belongs to the Section Green Chemistry)

Biomass and Waste Conversion and Valorization to Chemicals, Energy and Fuels, 2nd Edition

edited by José A.P. Coelho and Roumiana P. Stateva

submission deadline 31 Jul 2026 | Viewed by 44 | Submission Open

Keywords: plants and microalgal biomass; sustainable waste valorization; biofuels; biorefinery; neoteric solvents

(This special issue belongs to the Section Green Chemistry)

Advances in Chemical Biology of Blood Vessels: From Molecular Interactions to Prospective Targets

edited by

Anthony Zulli

submission deadline 31 Jul 2026 | Viewed by 43 | Submission Open

Keywords: chemoproteomics and activity-based profiling; endothelial signaling and heterogeneity; angiogenesis and vascular remodeling; chemical biology spatial proteomics; real-time chemical probes and dynamic signaling; precision targeting in cardiovascular disease and cancer

(This special issue belongs to the Section Chemical Biology)

DNA Nanostructures and Biomedicine

edited by

Yinan Zhang

and

Alexander Kotlyar

submission deadline 31 Jul 2026 | Viewed by 36 | Submission Open

Keywords: DNA nanostructures; biomedicine; drug delivery; biosensing; nucleic acid drugs

(This special issue belongs to the Section Medicinal Chemistry)

Natural Ingredient-Based Cosmeceutical: Advances and Applications in Cosmetics Chemistry

edited by

Katarzyna Dos Santos Szewczyk

and

Katarzyna Wojciechowska

submission deadline 31 Jul 2026 | Viewed by 33 | Submission Open

Keywords: natural ingredients; cosmeceuticals; cosmetic chemistry; bioactive compounds; plant extracts; skin health; anti-aging; antioxidants; cosmetic formulation; innovative technologies in cosmetology; safety and toxicology; photoprotection; marine-derived actives; biopolymers; sustainable cosmetics; nano-delivery systems; dermal applications; functional skincare

(This special issue belongs to the Section Medicinal Chemistry)

Advances in Intercalation Chemistry

edited by

Klára Melánová

and

Morena Nocchetti

submission deadline 31 Jul 2026 | Viewed by 24 | Submission Open

Keywords: intercalation; layered compound application; synthesis; clay-based materials; layered phosphates; layered double hydroxides; graphite; ion exchange

(This special issue belongs to the Section Materials Chemistry)

Marine Plant Metabolites as a Source of Novel Bioactive Agents: Isolation and Applications

edited by

Francesco Balestri

and

Francesca Felice

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

Keywords: marine algae; aquatic plants; bioactive metabolites; extraction and isolation techniques; natural product characterization; bioproducts and biofuels; cell metabolism; pharmacological targets

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

Carotenoids and Their Derivatives: Extraction, Characterization, and Applications

edited by

Gabriela Rapeanu

Claudia Inés Victoria-Campos

and

Braulio Cervantes-Paz

submission deadline 31 Jul 2026 | Viewed by 19 | Submission Open

Keywords: carotenoids; carotenoid derivatives; green extraction technologies; analytical characterization; bioaccessibility; bioavailability; encapsulation and delivery systems; functional foods

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

Bioactive Compounds as Modulators of Antioxidant Activity and Inflammatory Processes in Related Diseases

edited by

Raluca Maria Pop

submission deadline 31 Jul 2026 | Viewed by 19 | Submission Open

Keywords: natural bioactive compounds; antioxidant activities; anti-inflammatory activities; efficacy; safety; concentration-dependent effects; antioxidant/pro-oxidant balance

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

Computational Photochemistry: Challenges and Possibilities

edited by

Yuehui Li

submission deadline 31 Jul 2026 | Viewed by 18 | Submission Open

Keywords: computational photochemistry; quantum mechanical methods; excited state; environmental photocatalysis; photodynamic therapy; photocatalytic water splitting; CO2 photoreduction; photochemical transformation of small molecules; mechanisms of luminescent materials

(This special issue belongs to the Section Photochemistry)

Functional Nanomaterials and Composites: From Design Towards Energy & Environmental Applications

edited by