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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. The journal’s Editor-in-Chief and/or designated EBM 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. For any inquiries related to a Special Issue, please contact the Editorial Office.

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Computational Strategy for Drug Design
edited by
submission deadline 30 Apr 2024 | 21 articles | Viewed by 45477 | Submission Open
Keywords: computational biology; bioinformatics; drug development; computation-aided drug discovery; target identification; rational drug design; lead optimization
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Exploration of Natural Compounds: Pharmaceutical, Phytochemical and Biological Analysis submission deadline 30 Apr 2024 | 12 articles | Viewed by 37258 | Submission Open
Keywords: natural products; structure elucidation; natural-product-based hybrids; herbal formulations; biotransformation; biological properties
(This special issue belongs to the Section Natural Products Chemistry)
Synthesis and Applications of Transition Metal Complexes submission deadline 30 Apr 2024 | 21 articles | Viewed by 30859 | Submission Open
Keywords: coordination/organometallic complexes; transition metals; inorganic chemistry; homogeneous catalysis; medicinal chemistry; materials
(This special issue belongs to the Section Inorganic Chemistry)
Molecular Semiconductors for Organic and Perovskite Solar Cells
edited by and
submission deadline 30 Apr 2024 | 4 articles | Viewed by 25804 | Submission Open
Keywords: organic solar cells; perovskite solar cells; nonfullerene acceptors; polymer donors; molecular charge transport layers; molecular design; device performance; morphology
(This special issue belongs to the Section Materials Chemistry)
Frontiers in Alkyne Chemistry
edited by Ruimao Hua
submission deadline 30 Apr 2024 | 6 articles | Viewed by 16245 | Submission Open
Keywords: Alkyne annulation; Carbocycle synthesis; Heterocycle synthesis; Atom-economic reaction; Synthesis methodology
(This special issue belongs to the Section Organic Chemistry)
Small Molecules in Targeted Cancer Therapy
edited by
submission deadline 30 Apr 2024 | 9 articles | Viewed by 16146 | Submission Open
Keywords: anti-cancer therapy; targeted therapy; personalized cancer treatment; immunotherapy; biomarker
(This special issue belongs to the Section Medicinal Chemistry)
Computational Studies on the Development and Characterization of Pharmaceutical Materials
edited by
submission deadline 30 Apr 2024 | 11 articles | Viewed by 15167 | Submission Open
Keywords: molecular modelling; drug design; lead optimization; molecular descriptors; data-driven medicinal chemistry; drug-target interactions
(This special issue belongs to the Section Computational and Theoretical Chemistry)
New Functional Materials Based on Natural Polymers Obtained from Renewable Resources submission deadline 30 Apr 2024 | 8 articles | Viewed by 15043 | Submission Open
Keywords: biopolymers; polysaccharides; proteins; films; hydrogels; hybrid materials; 3D porous structures; biomaterials; biopolymer blends; composites
(This special issue belongs to the Section Materials Chemistry)
Recent Advancements in Density Functional Theory (DFT) and beyond for Computational Chemistry submission deadline 30 Apr 2024 | 9 articles | Viewed by 14898 | Submission Open
Keywords: density functional theory; electronic structure calculations; structural modifications; drug discovery study; modelling of optoelectronic materials; photovoltaic properties; organic solar cells; NLO materials; machine learning; chemosensor exploration
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Bioactive Compounds in Food: Characterization and Role in Human Health submission deadline 30 Apr 2024 | 6 articles | Viewed by 14101 | Submission Open
Keywords: food; diet; nutrition; risk factors; health; bioactive compounds; dietary supplements
(This special issue belongs to the Section Food Chemistry)
Food Polysaccharides: Structure, Properties and Application II submission deadline 30 Apr 2024 | 6 articles | Viewed by 13933 | Submission Open
Keywords: food polysaccharides; food gums; food additives; dietary fiber; structure; properties; functions; application; bioactivity
(This special issue belongs to the Section Applied Chemistry)
Recent Advances in Volatile Organic Compounds Analysis in Various Matrices II submission deadline 30 Apr 2024 | 8 articles | Viewed by 12798 | Submission Open
Keywords: volatile organic compounds; volatolomics; flavouromics; foodomics; sensomics; analytical approaches; method development; biomarker discovery; disease detection; plant volatiles; aroma compounds; environment; microorganisms; sensors; mass-spectrometry
(This special issue belongs to the Section Flavours and Fragrances)
Metal-Organic Framework-Based Composites: Synthesis and Applications
edited by
submission deadline 30 Apr 2024 | 8 articles | Viewed by 12202 | Submission Open
Keywords: metal– organic framework; hierarchical pore; composite films; aerogels; hydrogels
(This special issue belongs to the Section Organometallic Chemistry)
Recent Advances in Electrochemical Biosensors: Trends and Challenges
edited by
submission deadline 30 Apr 2024 | 7 articles | Viewed by 12027 | Submission Open
Keywords: electrochemical biosensors; nanomaterials; chemosensors; immunosensors; aptasensors; genosensors; cell-based sensors; phage-based sensors; portable devices; amperometric biosensors; impedimetric biosensors; voltammetric biosensors; molecularly imprinted polymers; origami paper-based biosensors; flexible and wearable electrochemical biosensors
(This special issue belongs to the Section Electrochemistry)
Themed Issue Dedicated to Prof. Bernard Boutevin submission deadline 30 Apr 2024 | 8 articles | Viewed by 11526 | Submission Open
Keywords: Telomerisation; Radical polymerisation; Biobased
(This special issue belongs to the Section Macromolecular Chemistry)
Targeting of Signaling Pathways for Cancer Therapy, 2nd Edition submission deadline 30 Apr 2024 | 4 articles | Viewed by 11082 | Submission Open
Keywords: cancer; receptor tyrosine kinase; cell death; small molecule inhibitors; bioactive molecules; nano molecules; personalized therapy; cell therapy
(This special issue belongs to the Section Chemical Biology)
Research on Chemical Composition and Activity of Natural Products submission deadline 30 Apr 2024 | 8 articles | Viewed by 10721 | 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)
A Themed Issue Dedicated to Professor Carsten Bolm—Sulfoximines and Related Sulfur Compounds and Their Biological Applications submission deadline 30 Apr 2024 | 5 articles | Viewed by 10489 | Submission Open
Keywords: sulfoximines; sulfonimidamides; sulfondiimines; sulfonamides; sulfones; organosulfur compounds; medicinal chemistry; crop protection
(This special issue belongs to the Section Organic Chemistry)
The Development of Bioactive Compounds Based on Naturally Occurring Compounds
edited by and
submission deadline 30 Apr 2024 | 6 articles | Viewed by 10456 | Submission Open
Keywords: natural products; bioactivity evaluation; target identification; structure determination; metabolic diseases; cancer; infectious diseases
(This special issue belongs to the Section Natural Products Chemistry)
Main Group Chemistry: From Synthesis to Applications—In Honor of the Great Contributions of Prof. J. Derek Woollins
edited by
submission deadline 30 Apr 2024 | 12 articles | Viewed by 10231 | Submission Open
Keywords: molecular science; synthesis; structural chemistry; main group chemistry
(This special issue belongs to the Section Inorganic Chemistry)
Antimicrobial Properties of Natural Products (Volume Ⅱ)
edited by
submission deadline 30 Apr 2024 | 5 articles | Viewed by 9336 | Submission Open
Keywords: natural products; antimicrobials properties; bacteria; virus; fungi
(This special issue belongs to the Section Natural Products Chemistry)
Metal Complexes for Optical and Electronics Applications submission deadline 30 Apr 2024 | 7 articles | Viewed by 9142 | Submission Open
Keywords: coordination chemistry; metal complexes; transition metals; lanthanides; luminescence; nonlinear optics; photo-switching; conductivity
(This special issue belongs to the Section Applied Chemistry)
Neuroprotective Potential of Bioactive Natural Compounds in Oxidative Stress Conditions III submission deadline 30 Apr 2024 | 4 articles | Viewed by 8719 | Submission Open
Keywords: oxidative stress; natural antioxidants; neuroprotection; metal homeostasis
(This special issue belongs to the Section Natural Products Chemistry)
Modulation and Determination of Lipases Activity
edited by
submission deadline 30 Apr 2024 | 4 articles | Viewed by 8601 | Submission Open
Keywords: lipases; lipases inhibitors; lipases activity; immobilization; biocatalysis; enzyme assay; high-throughput screening
(This special issue belongs to the Section Chemical Biology)
Antioxidants from Natural Sources: Separation and Characterization Ⅱ submission deadline 30 Apr 2024 | 6 articles | Viewed by 8601 | Submission Open
Keywords: extraction of natural antioxidants; fractionation of natural antioxidants; purification of natural antioxidants; biorefining of natural sources for antioxidants; characterization of natural antioxidants; radical scavenging capacity; chromatographic analysis of antioxidants; spectroscopic analysis of antioxidants; bio-guided assays of antioxidants
(This special issue belongs to the Section Natural Products Chemistry)
Plant-Based Ingredients: Challenges and Advance for Food Development submission deadline 30 Apr 2024 | 4 articles | Viewed by 8564 | Submission Open
Keywords: plant-based components; flexitarians; vegans; new ingredients; biological properties; technological properties; sensorial properties; regulatory aspects
(This special issue belongs to the Section Food Chemistry)
Chemical Composition and Bioactivities of Essential Oils, 2nd Edition submission deadline 30 Apr 2024 | 7 articles | Viewed by 8476 | Submission Open
Keywords: bioactive natural compounds; essential oils; chemical characterization; the essential oil mechanism of action; the biological activities in vitro and in vivo; antitumor; antimicrobials; antioxidant; EOs delivery strategies
(This special issue belongs to the Section Natural Products Chemistry)
Small Molecule Hybrids for Anticancer and Antiviral Therapy submission deadline 30 Apr 2024 | 6 articles | Viewed by 8004 | Submission Open
Keywords: hybrid compounds; bioconjugation; anticancer agents; small-molecule engineered hybrids; antiviral activity; drug development; chemical design and synthesis; biological activity; drug resistance
(This special issue belongs to the Section Medicinal Chemistry)
Bioactive Properties and Chemical Composition of Wild Edible Species submission deadline 30 Apr 2024 | 4 articles | Viewed by 7753 | 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)
Pharmacological and Biological Activities of Bioactive Compounds in Natural Products submission deadline 30 Apr 2024 | 3 articles | Viewed by 7378 | Submission Open
Keywords: natural bioactive compounds; microorganisms; plants; animals; natural-based products; pharmacological actions; cosmetics; food products; pharmaceual industry
(This special issue belongs to the Section Natural Products Chemistry)
Preservation and Analysis of Functional Chemical Components in Food Chemistry
edited by
submission deadline 30 Apr 2024 | 6 articles | Viewed by 6932 | Submission Open
Keywords: food preservation; functional chemical components; bioactive extraction; analytical method
(This special issue belongs to the Section Food Chemistry)
Advances in Nanomaterials for Biomedical Applications
edited by Xueen Jia and Ce Zhang
submission deadline 30 Apr 2024 | 5 articles | Viewed by 6909 | Submission Open
Keywords: 2D nanomaterials; metal– organic frameworks (MOFs); metasurfaces; biosensor; drug delivery
(This special issue belongs to the Section Nanochemistry)
Insights for Food Lipids submission deadline 30 Apr 2024 | 3 articles | Viewed by 6876 | Submission Open
Keywords: lipid processing; lipid analysis; oxidation and antioxidant; lipid nutrition; green technology; resource utilization; functional lipid
(This special issue belongs to the Section Food Chemistry)
Nanoparticle-Based Drug Delivery Systems
edited by and
submission deadline 30 Apr 2024 | 3 articles | Viewed by 6780 | Submission Open
Keywords: nanoparticle; cancer therapy; cancer imaging; immunotherapy; tumor microenvironment
(This special issue belongs to the Section Medicinal Chemistry)
Exclusive Feature Papers on Molecular Structure
edited by
submission deadline 30 Apr 2024 | 7 articles | Viewed by 6742 | Submission Open
(This special issue belongs to the Section Molecular Structure)
Targeting Cell Signaling Pathways in Anticancer Drug Design and Development submission deadline 30 Apr 2024 | 4 articles | Viewed by 6408 | Submission Open
Keywords: cell signaling and crosstalk (e.g.; NF-kB; Nrf2; STAT; Wnt; Notch; MAPK; AKT); protein kinases; cancer and therapeutic targets; anti-cancer drug resistance; modulation; anti-cancer compounds; inhibitors
(This special issue belongs to the Section Medicinal Chemistry)
Noble Gas Compounds and Chemistry II submission deadline 30 Apr 2024 | 4 articles | Viewed by 6300 | Submission Open
Keywords: noble gases; bonding analysis; chemical bond; non-covalent interactions; noble-gas chemistry; stability of noble-gas-containing molecules; reactions of noble-gas-containing molecules
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Advances of Heterocyclic Chemistry with Antibacterial and Antifungal Activity
edited by
submission deadline 30 Apr 2024 | 5 articles | Viewed by 6234 | Submission Open
Keywords: heterocyclic chemistry; heterocyclic pesticides; design; synthesis; bioactivity; mechanism of action
(This special issue belongs to the Section Organic Chemistry)
Current Emerging Trends of Extraction and Encapsulation in Food submission deadline 30 Apr 2024 | 5 articles | Viewed by 6091 | Submission Open
Keywords: encapsulation techniques; extraction processes; bioactive compounds; complex coacervation; nanocarriers; controlled release; storage stability; food applications
(This special issue belongs to the Section Food Chemistry)
Advances in Pharmaceutical Analytical Technologies
edited by
submission deadline 30 Apr 2024 | 5 articles | Viewed by 5824 | Submission Open
Keywords: pharmaceutical; quality by design; design of experiments; analytical method; validation; development and optimization; quality control samples
(This special issue belongs to the Section Analytical Chemistry)
Recent Advances in Transition Metal Catalysis
edited by Dingyi Wang
submission deadline 30 Apr 2024 | 5 articles | Viewed by 5488 | Submission Open
Keywords: transition metal catalysis; photocatalysis; electrosynthesis; organic synthesis; asymmetric synthesis; C-H functionalization; C-C functionalization; C-X functionalization
(This special issue belongs to the Section Organic Chemistry)
New Functional Materials for Energy Storage submission deadline 30 Apr 2024 | 3 articles | Viewed by 5479 | Submission Open
Keywords: lithium-ion batteries (LIBs); supercapacitors; fuel cells; and solar cells; electrode materials; functional materials
(This special issue belongs to the Section Applied Chemistry)
Environmental Analysis of Organic Pollutants, 2nd Edition
edited by and
submission deadline 30 Apr 2024 | 4 articles | Viewed by 5420 | Submission Open
Keywords: organic pollutants; POPs; emerging contaminants; sediment contaminants; soil contaminants; water pollutants; air pollution; industrial emission
(This special issue belongs to the Section Green Chemistry)
Catalysts: New Materials for Green Chemistry
edited by and
submission deadline 30 Apr 2024 | 4 articles | Viewed by 5408 | Submission Open
Keywords: catalysts; green chemistry; atom-economy synthetics; environmental sustainability; pollution prevention
(This special issue belongs to the Section Green Chemistry)
Chemical Analyses and Therapeutic Properties of Plant Extracts
edited by , and Peter Orji Uvere
submission deadline 30 Apr 2024 | 3 articles | Viewed by 4978 | Submission Open
Keywords: medicinal plants; culinary plants; extracts; bioactive constituents; therapeutic properties; clinical significance
(This special issue belongs to the Section Natural Products Chemistry)
Antibacterial and Physical Properties of Smart Materials with Novel pH-Sensitive Compounds
edited by
submission deadline 30 Apr 2024 | 3 articles | Viewed by 4803 | Submission Open
Keywords: natural compounds or derivatives; target treatment; acid-producing bacteria; physical properties; ph-sensitive; antibacterial activity; drug carrier
(This special issue belongs to the Section Materials Chemistry)
Exclusive Feature Papers in Physical Chemistry, 2nd Edition
edited by
submission deadline 30 Apr 2024 | 8 articles | Viewed by 4472 | Submission Open
Keywords: catalysis; energy electrochemistry; kinetic; interface chemistry; biophysical chemistry
(This special issue belongs to the Section Physical Chemistry)
Natural Secondary Metabolites III submission deadline 30 Apr 2024 | 4 articles | Viewed by 4267 | Submission Open
Keywords: structure and stereostructure elucidation; analytical techniques; optimization of growth conditions; dual culture method; biological activities; structure– activity relationship; biotic and abiotic factors on secondary metabolite production; chemical properties; metabolomics
(This special issue belongs to the Section Natural Products Chemistry)
Recent Advances in Ionic Liquids and Their Applications
edited by
submission deadline 30 Apr 2024 | 4 articles | Viewed by 4142 | Submission Open
Keywords: ionic liquids; deep eutectic solvents; applications
(This special issue belongs to the Section Applied Chemistry)
Anthocyanins: The Infinite Properties of These Incredible Compounds 2.0
edited by
submission deadline 30 Apr 2024 | 3 articles | Viewed by 4132 | Submission Open
Keywords: ecology and function; phytochemistry; fruits and vegetable; application in food and industry; biosynthesis and genetics; polymerization and degradation; bioavailability and bioaccesibility; methods of analysis; health and nutrition
(This special issue belongs to the Section Natural Products Chemistry)
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