Molecules

18 pages, 1305 KB

Open AccessArticle

Varietal Discrimination of Purple, Red, and White Rice Bran Oils Based on Physicochemical Properties, Bioactive Compounds, and Lipidomic Profiles

by Peng Zheng, Yuyue Qin, Xiaoyu Yin, Jianxin Cao, Shujie Wang and Guiguang Cheng

Molecules 2026, 31(2), 308; https://doi.org/10.3390/molecules31020308 - 15 Jan 2026

Abstract

Rice bran oil (RBO) is increasingly valued for its bioactive constituents and associated health benefits. This study presents a comprehensive comparative analysis of RBOs derived from purple (PRBO), red (RRBO), and white (WRBO) rice bran, focusing on their physicochemical properties, fatty-acid profiles, bioactive [...] Read more.

Rice bran oil (RBO) is increasingly valued for its bioactive constituents and associated health benefits. This study presents a comprehensive comparative analysis of RBOs derived from purple (PRBO), red (RRBO), and white (WRBO) rice bran, focusing on their physicochemical properties, fatty-acid profiles, bioactive components, antioxidant activity, oxidative stability, and lipidomics. Our results demonstrate that PRBO consistently exhibited a more favorable fatty-acid composition, characterized by a higher proportion of unsaturated fatty acids and significantly greater concentrations of bioactive compounds (including tocopherols/tocotrienols, γ-oryzanol, phytosterols, and squalene). Accordingly, PRBO showed the highest radical-scavenging activity and storage oxidative stability, followed by RRBO and WRBO. Additionally, untargeted lipidomics using UPLC–MS–MS identified 2908 lipid species spanning 57 subclasses and revealed distinct variety-specific lipid signatures. PRBO was uniquely enriched in lipid species such as ceramide phosphate (CerP) and monogalactosyldiacylglycerol (MGDG). RRBO was characterized by a distinct abundance of sitosteryl esters (SiE), phosphatidic acid (PA), and cardiolipin (CL), while WRBO was distinguished by phosphatidylethanol (PEt), lysodimethylphosphatidylethanolamine (LdMePE), and sphingomyelin (SM). Overall, PRBO possessed not only a broader repertoire of lipid species but also higher relative abundances of nutritionally significant lipids. These results enable quality evaluation and varietal authentication of colored RBOs and guide their targeted use in health-oriented foods and nutritional interventions. Full article

(This article belongs to the Special Issue Novel Food Processing Technologies and Their Effects on Bioactive Components in Foods)

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22 pages, 3068 KB

Open AccessArticle

Hydroalcoholic Extracts of Cucumis prophetarum L. Affect the Insulin Signaling Pathway in an In Vitro Model of Insulin-Resistant L6 Myotubes

by Zewdie Mekonnen, Giuseppe Petito, Getasew Shitaye, Gianluca D’Abrosca, Belete Adefris Legesse, Sisay Addisu, Antonia Lanni, Roberto Fattorusso, Carla Isernia, Lara Comune, Simona Piccolella, Severina Pacifico, Rosalba Senese, Gaetano Malgieri and Solomon Tebeje Gizaw

Molecules 2026, 31(2), 307; https://doi.org/10.3390/molecules31020307 - 15 Jan 2026

Abstract

Type 2 diabetes mellitus (T2DM) can be traditionally treated by edible and medicinal species rich in flavonoids and triterpenoids known for their metabolic benefits. Cucumis prophetarum L. has shown antioxidant and antidiabetic properties in decoction extracts. Since solvent polarity strongly influences the extraction [...] Read more.

Type 2 diabetes mellitus (T2DM) can be traditionally treated by edible and medicinal species rich in flavonoids and triterpenoids known for their metabolic benefits. Cucumis prophetarum L. has shown antioxidant and antidiabetic properties in decoction extracts. Since solvent polarity strongly influences the extraction of secondary metabolites, this study investigated the hydroalcoholic extracts of C. prophetarum L. to explore their chemical composition and insulin-sensitizing potential. Hydroalcoholic extracts from the leaf, stem, and root of C. prophetarum L. were analyzed by UV-Vis spectroscopy, ATR-FTIR, and UHPLC-ESI-QqTOF–MS/MS to profile their secondary metabolites. The insulin-sensitizing potential of each extract was assessed using an in vitro model of palmitic-acid-induced insulin resistance in L6 skeletal muscle cells, followed by Western blot analysis of key insulin-signaling proteins. Flavonoid glycosides such as apigenin-C,O-dihexoside, apigenin-malonylhexoside, and luteolin-C,O-dihexoside were abundant in leaf and stem extracts, while cucurbitacins predominated in the root. MTT assay confirmed that hydroalcoholic stem and root extracts of C. prophetarum L. were non-cytotoxic to L6 myotubes, whereas the leaf extract reduced viability only at higher concentrations. Oil Red O staining revealed a pronounced decrease in lipid accumulation following stem and root extract treatment. Consistently, the stem extract enhanced insulin signaling through the activation of the IRS-1/PI3K/Akt pathway, while the root extract primarily modulated the AMPK–mTOR pathway. Importantly, both extracts promoted GLUT4 translocation to the plasma membrane, highlighting their complementary mechanisms in restoring insulin sensitivity. Hydroalcoholic extracts of C. prophetarum L. alleviate insulin resistance through multiple molecular mechanisms, with bioactivity and composition differing markedly from previously reported in the decoctions, which highlight a promising source of insulin-sensitizing phytochemicals and underscore the importance of solvent selection in maximizing therapeutic potential. Full article

(This article belongs to the Special Issue Bioactive Natural Products and Derivatives)

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15 pages, 1929 KB

Open AccessArticle

Metal Preference Hierarchy in the HDAC8 Active Site: A DFT Study

by Nikolay Toshev, Diana Cheshmedzhieva, Yordanka Uzunova, Kristiyan Velichkov and Todor Dudev

Molecules 2026, 31(2), 306; https://doi.org/10.3390/molecules31020306 - 15 Jan 2026

Abstract

HDAC8 is a histone deacetylase enzyme that plays a key role in the development of various diseases in humans, including cancers, neurodegenerative diseases, and alcohol use disorder. Although HDAC8 is classified as a Zn²⁺-dependent metalloenzyme, available data regarding the affinity of [...] Read more.

HDAC8 is a histone deacetylase enzyme that plays a key role in the development of various diseases in humans, including cancers, neurodegenerative diseases, and alcohol use disorder. Although HDAC8 is classified as a Zn²⁺-dependent metalloenzyme, available data regarding the affinity of other biologically relevant ions, such as Fe²⁺, Ni²⁺, Co²⁺, and Mg²⁺, for the HDAC8 enzyme active site remain unclear and contradictory. The mechanism by which these ions compete with Zn²⁺ for the HDAC8 active site is not well understood. In this study, we performed density functional theory (DFT) calculations at the B3LYP/6-31+G(d) level of theory, combined with polarizable continuum model computations (PCM) in water (ε = 78) and methanol (ε = 32). The results show that Zn²⁺ remains the thermodynamically preferred cofactor across all modeled reactions. Although Fe²⁺ and Co²⁺ gain partial stabilization upon increasing coordination number, the associated entropic and desolvation penalties prevent them from outcompeting Zn²⁺ under physiologically relevant conditions. Only a limited number of substitution reactions for Fe²⁺ and Co²⁺ yield ∆G values near thermodynamic neutrality, and only in specific coordination states. In contrast, all modeled Ni²⁺ substitution reactions are unfavorable, and Mg²⁺ is strongly excluded from the HDAC8 active site in all reactions. The resulting metal preference hierarchy—Zn²⁺ > Co²⁺ ≈ Fe²⁺ > Ni²⁺ > Mg²⁺—supports experimental observations and clarifies the intrinsic selectivity of the HDAC8 enzyme towards Zn²⁺. These insights provide a molecular basis for understanding HDAC8 metallo-regulation and may guide the rational design of novel, isoform-specific HDACi with improved binding properties. Full article

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31 pages, 1648 KB

Open AccessReview

Beyond the Solvent: Engineering Ionic Liquids for Biomedical Applications—Advances, Challenges, and Future Directions

by Amal A. M. Elgharbawy, Najihah Mohd Noor, Nor Azrini Nadiha Azmi and Beauty Suestining Diyah Dewanti

Molecules 2026, 31(2), 305; https://doi.org/10.3390/molecules31020305 - 15 Jan 2026

Abstract

Ionic liquids (ILs) have emerged as multifunctional compounds with low volatility, high thermal stability, and tunable solvation capabilities, making them highly promising for biomedical applications. First explored in the late 1990s and early 2000s for enhancing the thermal stability of enzymes, antimicrobial agents, [...] Read more.

Ionic liquids (ILs) have emerged as multifunctional compounds with low volatility, high thermal stability, and tunable solvation capabilities, making them highly promising for biomedical applications. First explored in the late 1990s and early 2000s for enhancing the thermal stability of enzymes, antimicrobial agents, and controlled release systems, ILs have since gained significant attention in drug delivery, antimicrobial treatments, medical imaging, and biosensing. This review examines the diverse functions of ILs in contemporary therapeutics and diagnostics, highlighting their transformative capabilities in improving drug solubility, bioavailability, transdermal permeability, and pathogen inactivation. In drug delivery, ILs improve solubility of bioactive compounds, with several IL formulations achieving substantial solubility enhancements for poorly soluble drugs. Bio-ILs, in particular, show promise in enhancing drug delivery systems, such as improving transdermal permeability. ILs also exhibit significant antimicrobial and antiviral activity, offering new avenues for combating resistant pathogens. Despite their broad potential, challenges such as cytotoxicity, long-term metabolic effects, and the stability of ILs in physiological conditions persist. While much research has focused on their physicochemical properties, biological activity and in vivo studies are still underexplored. The future directions for ILs in biomedical applications include the development of bioengineered ILs and hybrid ILs, combining functional components like nanoparticles and polymers to create multifunctional materials. These ILs, derived from renewable resources, show great promise in personalized medicine and clinical applications. Further research is necessary to evaluate their pharmacokinetics, biodistribution, and long-term safety to fully realize their biomedical potential. This study emphasizes the potential of ILs to transform therapeutic and diagnostic technologies by highlighting present shortcomings and offering pathways for clinical translation, while also debating the need for continuous research to fully utilize their biomedical capabilities. Full article

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17 pages, 719 KB

Open AccessArticle

Phenolic Composition and Antioxidant Properties of Bee Bread Collected in Three Consecutive Beekeeping Seasons in Poland

by Teresa Szczęsna, Katarzyna Jaśkiewicz, Natalia Skubij and Jacek Jachuła

Molecules 2026, 31(2), 304; https://doi.org/10.3390/molecules31020304 - 15 Jan 2026

Abstract

Bee bread contains numerous bioactive compounds, including phenolic compounds, which have been associated with antioxidant properties. In this study, we determined the phenolic composition of Polish bee bread collected over three consecutive years using HPLC-DAD. We also measured total phenolic content (TPC) and [...] Read more.

Bee bread contains numerous bioactive compounds, including phenolic compounds, which have been associated with antioxidant properties. In this study, we determined the phenolic composition of Polish bee bread collected over three consecutive years using HPLC-DAD. We also measured total phenolic content (TPC) and antioxidant activity, expressed as DPPH radical scavenging activity. The highest concentrations were observed for p-coumaric, trans-ferulic, and caffeic acids, as well as for two flavonoids—rutin and hesperidin. The contents of individual phenolic compounds varied across the years of sample collection, with the exception of p-coumaric and vanillic acids. Despite year-to-year differences in TPC, no significant correlation with antioxidant activity (>90% in all samples) was observed, indicating a substantial contribution of non-phenolic compounds to antioxidant capacity. Principal Component Analysis revealed that almost all samples clustered into three groups according to their year of collection. We conclude that the year-to-year variation in phenolic compound content in bee bread is likely attributable to differences in available pollen sources. Our findings expand the current knowledge of the nutritional value of bee bread produced in Poland and strengthen the premises for its use as a functional food. Full article

(This article belongs to the Special Issue Biological Activity and Chemical Composition of Honeybee Products)

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24 pages, 1560 KB

Open AccessReview

Georgian Grapes and Wines as a Source of Phenolic Compounds: Composition, Antioxidant Activity, and Traditional Winemaking

by Valentina Mittova, Zurab R. Tsetskhladze, Nino Motsonelidze, Rosanna Palumbo and Giovanni N. Roviello

Molecules 2026, 31(2), 303; https://doi.org/10.3390/molecules31020303 - 15 Jan 2026

Abstract

Georgia is recognized as one of the world’s earliest known centers of grape cultivation and wine production, as well as the home of 525 indigenous grape varieties. Phenolic compounds are a diverse group of secondary metabolites which are present in both grapes and [...] Read more.

Georgia is recognized as one of the world’s earliest known centers of grape cultivation and wine production, as well as the home of 525 indigenous grape varieties. Phenolic compounds are a diverse group of secondary metabolites which are present in both grapes and wine, with the phenolic derivatives determining the organoleptic properties and the antioxidant activity of the resulting wines. Remarkably, the content and composition of phenolic compounds in wine are mainly influenced by the grape variety and the winemaking method. In this context, herein we review the present knowledge on the phenolic composition of the most common Georgian grape varieties and discuss available molecular insights on the resulting wines. The comparison of traditional European and traditional Georgian “qvevri” winemaking methods revealed that this method provides high antioxidant activity of Georgian wines, as well as a unique phenolic composition of red and white Georgian wines. Full article

(This article belongs to the Special Issue NUCLEO-OMICS24)

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14 pages, 1836 KB

Open AccessArticle

Development of a Peptide-Based Photoimmunotherapy Drug Targeting PD-L1

by Takuya Otani, Naoya Kondo, Ayaka Kanai and Hirofumi Hanaoka

Molecules 2026, 31(2), 302; https://doi.org/10.3390/molecules31020302 - 14 Jan 2026

Abstract

Near-infrared photoimmunotherapy (NIR-PIT) has recently attracted attention as a highly selective cancer treatment, with good treatment outcomes observed from the only antibody-based drug currently available for clinical use. However, since only a single agent is currently used clinically and the development of new [...] Read more.

Near-infrared photoimmunotherapy (NIR-PIT) has recently attracted attention as a highly selective cancer treatment, with good treatment outcomes observed from the only antibody-based drug currently available for clinical use. However, since only a single agent is currently used clinically and the development of new antibodies is costly, exploring other therapeutic modalities is important. In this study, we investigated a novel peptide-based PIT drug targeting programmed death-ligand 1 (PD-L1), which is overexpressed in many types of cancer. The WL12 peptide, which is known to bind to PD-L1, was conjugated with the photoabsorber IRDye700DX (IR700), and its usefulness was evaluated in vitro and in vivo. In therapeutic experiments on PD-L1-positive cells, NIR-PIT with WL12-IR700 induced PIT-like morphological changes in cells and reduced cancer cell viability in an NIR light dose- and drug concentration-dependent manner. In vivo experiments showed significant suppression of tumor growth and an extended overall survival rate. These results indicate that the developed peptide-based drug can be used for PD-L1-targeted NIR-PIT. Full article

(This article belongs to the Special Issue Exploring the Therapeutic Potential of Peptides in Anti-Cancer Treatments)

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13 pages, 1867 KB

Open AccessArticle

Discovery of a New Rosamicin Derivative from Endophytic Micromonospora rosaria FoRo54 Using Genome Mining Technology

by Zhi-Bin Zhang, Qi Liu, Guo-Dong Song, Yi-Wen Xiao, Ri-Ming Yan and Du Zhu

Molecules 2026, 31(2), 301; https://doi.org/10.3390/molecules31020301 - 14 Jan 2026

Abstract

Endophytic FoRo54 was isolated from the roots of Oryza rufipogon (Dongxiang wild rice) collected in China. Based on morphological characteristics and phylogenetic analysis of the 16S rRNA gene sequence, strain FoRo54 was identified as closely related to Micromonospora rosaria. The complete genome [...] Read more.

Endophytic FoRo54 was isolated from the roots of Oryza rufipogon (Dongxiang wild rice) collected in China. Based on morphological characteristics and phylogenetic analysis of the 16S rRNA gene sequence, strain FoRo54 was identified as closely related to Micromonospora rosaria. The complete genome of FoRo54 consists of a linear chromosome of 7,057,852 bp with a GC content of 73.8 mol%. Genome mining using antiSMASH revealed 27 biosynthetic gene clusters (BGCs) potentially involved in secondary metabolite biosynthesis, including those associated with kanamycin, rosamicin, and asukamycin, consistent with the antibacterial activities of the strain. Application of a combined genome mining strategy enabled further exploration of the strain’s metabolic potential. One new rosamicin derivative, N-demethyl rosamicin (1), together with three known compounds, rosamicin (2), SCH 23831 (3), and tylactone (4), were isolated from fermentation broth. Antibacterial evaluation revealed that compounds 1-4 exhibited potent inhibitory activity against Staphylococcus aureus. Furthermore, based on genomic analysis, the biosynthetic pathway and putative gene functions responsible for these metabolites were proposed. Collectively, these findings highlight the metabolic versatility of the endophytic Micromonospora rosaria FoRo54, underscoring its potential as a valuable source of novel bioactive metabolites and providing a genomic framework for future heterologous expression and functional genetic characterization. Full article

(This article belongs to the Section Bioorganic Chemistry)

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23 pages, 2493 KB

Open AccessArticle

Production and Characterization of Novel Photocatalytic Materials Derived from the Sustainable Management of Agro-Food By-Products

by Christina Megetho Gkaliouri, Eleftheria Tsampika Laoudikou, Zacharias Ioannou, Sofia Papadopoulou, Vasiliki Anastasia Giota and Dimitris Sarris

Molecules 2026, 31(2), 300; https://doi.org/10.3390/molecules31020300 - 14 Jan 2026

Abstract

Porous photocatalysts from agricultural waste, i.e., apricot and peach shell, with titanium dioxide were prepared by a carbonaceous method, the adsorption and photocatalytic degradation and its kinetics about methylene blue (MB) were studied systematically. The properties of the prepared composite sorbents were characterized [...] Read more.

Porous photocatalysts from agricultural waste, i.e., apricot and peach shell, with titanium dioxide were prepared by a carbonaceous method, the adsorption and photocatalytic degradation and its kinetics about methylene blue (MB) were studied systematically. The properties of the prepared composite sorbents were characterized using Brunauer–Emmett–Teller, surface area, scanning electron microscopy, and energy dispersive spectroscopy analyses. Several key factors, including radiation, pH, temperature, initial MB concentration, contact time, and sorbent dosage, as well as photocatalytic activity were investigated. All the waste-TiO₂ adsorbents showed improved adsorption and photodegradation performance compared to commercial charchoal-TiO₂. The produced materials presented high specific surface areas especially those derived from apricot shell-TiO₂ with a combination of type I and IV adsorption isotherms with a hysteresis loop indicating micro and mesopore structures. In addition, under UV radiation, the composite sorbents exhibited greater MB removal efficiency than non-radiated composite sorbents. The examined conditions have shown the best MB adsorption results at pH greater than 7.5, temperature 30 °C, contact time 120 min, initial concentration 0.5 mg/L MB, and sorbent dosage equal to 2.0 g/L C/MB. The total removal rate of MB is 98.5%, while the respective amount of commercial charcoal-TiO₂ is equal to 75.0%. The kinetic model that best describes the experimental data of MB degradation from the photocatalytic materials is the pseudo-second order model. In summary, this work highlights the effectiveness and feasibility of transforming agricultural waste into carbonaceous composite sorbent for the removal of cationic dyes from wastewater. Future work will involve scaling up the synthesis of the catalyst and evaluating its performance using bed reactors for industrial processes. Full article

(This article belongs to the Special Issue Agricultural and Food Residues: Treatment and Valorization of By-Products and Wastes)

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26 pages, 1463 KB

Open AccessReview

Design and Application of Hetero-Multicomponent Metal Oxide Photocatalysts for Wastewater Treatment: Ti–Cu–Zn Catalysts and Future Research Directions

by Maria-Anthoniette Oghenetejiro Onoriode-Afunezie, Justinas Krutkevičius and Agnė Šulčiūtė

Molecules 2026, 31(2), 299; https://doi.org/10.3390/molecules31020299 - 14 Jan 2026

Abstract

Hetero-multicomponent metal oxide catalysts are attracting increasing attention for wastewater remediation due to their tunable band structures, synergistic redox activity, and enhanced stability. This review thoroughly evaluates recent progress in the synthesis and application of such catalysts, highlighting Ti–Cu–Zn nanostructures as a representative [...] Read more.

Hetero-multicomponent metal oxide catalysts are attracting increasing attention for wastewater remediation due to their tunable band structures, synergistic redox activity, and enhanced stability. This review thoroughly evaluates recent progress in the synthesis and application of such catalysts, highlighting Ti–Cu–Zn nanostructures as a representative case study. We examine synthesis approaches—including hydrothermal, biosynthesis, precipitation, and spray-based methods, with additional insight into sol–gel and other less commonly applied techniques—with emphasis on their suitability for constructing layered and multicomponent heterostructures. Mechanistic aspects of photocatalysis, Fenton and Fenton-like processes, adsorption, and electrochemical routes are discussed, with particular focus on charge separation, reactive oxygen species (ROS) generation, and pollutant-specific degradation pathways. Comparative performance metrics against antibiotics, pesticides, dyes, and fertilizers are analyzed, alongside considerations of leaching, reusability, and scale-up potential. Importantly, while significant progress has been made for organic micropollutants, applications in heavy metal remediation remain scarce, highlighting an urgent research gap. By situating Ti–Cu–Zn systems within the broader class of multicomponent catalysts, this review not only synthesizes current advances but also identifies opportunities to expand their role in sustainable wastewater management, including field deployment, regulatory compliance, and integration into decentralized treatment systems. Full article

(This article belongs to the Special Issue Recent Advances in Chemical Treatments of Wastewater)

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20 pages, 730 KB

Open AccessArticle

Fortification of Durum Wheat Pasta with Mealworm (Tenebrio molitor) Powder: Physicochemical, Nutraceutical, and Sensory Effects

by Ewelina Zielińska, Paulina Sidor and Urszula Pankiewicz

Molecules 2026, 31(2), 298; https://doi.org/10.3390/molecules31020298 - 14 Jan 2026

Abstract

Edible insects are gaining popularity as an alternative food source, highlighting the urgent need for research on their incorporation into traditional food products. This study investigated the impact of incorporating mealworm (Tenebrio molitor) powder (MP) at 2%, 5%, and 10% levels [...] Read more.

Edible insects are gaining popularity as an alternative food source, highlighting the urgent need for research on their incorporation into traditional food products. This study investigated the impact of incorporating mealworm (Tenebrio molitor) powder (MP) at 2%, 5%, and 10% levels on the nutritional, functional, and sensory properties of pasta. Proximate composition, mineral content, color parameters, cooking quality, antioxidant activity and sensory properties were evaluated. Starch digestibility fractions and predicted glycemic index (pGI) were calculated based on in vitro enzymatic hydrolysis. Results showed that 10% MP addition significantly increased protein (1.45-fold) and fat content (12-fold), enriched minerals (Fe, Zn, Mg, K), and improved antioxidant capacity (ABTS⁺·: 1.3-fold; DPPH·: 2.6-fold) and phenolic content (14.4-fold) compared to control. Color analysis revealed a decrease in lightness and an increase in redness, indicating darker tones with higher MP levels. This supplementation reduced rapidly digestible starch and pGI while increasing slowly digestible starch, suggesting benefits for glycemic control. Sensory evaluation revealed no significant differences (p > 0.05) among samples for appearance, color, taste, and overall impression, confirming good acceptability. Overall, MP fortification improved nutritional and functional properties without compromising sensory quality, supporting its application in developing high-protein, health-oriented foods. Full article

(This article belongs to the Special Issue Functional Foods Enriched with Natural Bioactive Compounds)

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15 pages, 4704 KB

Open AccessArticle

Luteolin Inhibits Invasion of Listeria monocytogenes by Interacting with SortaseA and InternalinB

by Junlu Liu, Rui Liu, Hang Pan, Jiahui Lu, Qiong Liu and Guizhen Wang

Molecules 2026, 31(2), 297; https://doi.org/10.3390/molecules31020297 - 14 Jan 2026

Abstract

Listeria monocytogenes (LM) is a lethal foodborne intracellular pathogen. Internalins A and B (inlA and inlB) are critical virulence factors that promote LM’s adhesion and invasion into host cells. InlA is covalently anchored to the cell wall by LM SortaseA (SrtA), while inlB [...] Read more.

Listeria monocytogenes (LM) is a lethal foodborne intracellular pathogen. Internalins A and B (inlA and inlB) are critical virulence factors that promote LM’s adhesion and invasion into host cells. InlA is covalently anchored to the cell wall by LM SortaseA (SrtA), while inlB is anchored to the cell wall via non-covalent bonds. Therefore, inhibiting SrtA and inlB is expected to suppress LM’s adhesion and invasion of host cells, enabling the prevention and control of infections. This study demonstrated that Luteolin inhibited the activity of purified LM SrtA protein in vitro. Interactive mechanism analysis indicated that Luteolin generates interaction with the critical active sites of SrtA, which may affect its binding to its natural substrates, thereby reducing the anchoring of inlA on the cell wall and achieving the inhibition of bacterial adhesion and invasion. In addition, Luteolin binds to the groove at the binding interface between inlB and its host receptor. The key residues in inlB that interact with the host receptor form weak interactions (Hydrogen bonds and van der Waals interactions) with Luteolin, this binding may inhibit their binding, suppressing LM’s adhesion and invasion of host cells. At the tested concentrations, Luteolin did not affect the growth of LM, but remarkably reduced the mortality and alleviated the infection symptoms of LM-infected Galleria mellonella. These results provide additional theoretical evidence for the application of Luteolin in the prevention and control of LM infections, which is expected to accelerate its application progress. Full article

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18 pages, 1034 KB

Open AccessArticle

Chemical Composition, Antimicrobial, Antioxidant, and Anticancer Activities of Jacquemontia pentantha Essential Oils

by Noorah A. Alkubaisi, Mashail Fahad Alsayed, Hissah Abdulrahman Alodaini, Fuad Alanazi, Abdulhadi M. Abdulwahed and Ibrahim M. Aziz

Molecules 2026, 31(2), 296; https://doi.org/10.3390/molecules31020296 - 14 Jan 2026

Abstract

Jacquemontia pentantha (Jacq.) G. Don. (Convolvulaceae): This is a plant with rich ethnobotanical uses, but its essential oil (EO) composition and overall biological properties remain largely uninvestigated. In this research, the J. pentantha EO (JPEO) is characterized in a thorough manner, [...] Read more.

Jacquemontia pentantha (Jacq.) G. Don. (Convolvulaceae): This is a plant with rich ethnobotanical uses, but its essential oil (EO) composition and overall biological properties remain largely uninvestigated. In this research, the J. pentantha EO (JPEO) is characterized in a thorough manner, with an evaluation of its in vitro antioxidant, antimicrobial, and cytotoxic properties, aiming to provide scientific support for ethnobotanical uses, as well as the definition of new potentialities. The EOs were isolated from the aerial part of the plant via hydrodistillation, and a qualitative analysis of the components was carried out via GC–MS. The biological properties were investigated by means of standard in vitro assays: namely, DPPH and ABTS for the measurement of antioxidant activity, the disk diffusion technique, and the microbroth dilution assay for the evaluation of antimicrobial activity against six bacterial species, as well as for the assessment of the activity against five species of Candida fungi, whereas the cytotoxic activity against MCF-7 and HepG2 cells was assessed using the MTT assay. Preliminary characterization of the EOs via GC/MS revealed a particular “chemical profile” with a high concentration of himachalene-type sesquiterpenes, namely, β-himachalene (6.47%) and (+)-α-himachalene (6.46%), together with phenolic monoterpenoids. The EOs showed significant antioxidant activity (IC₅₀ = 172.41 and 378.94 µg/mL, respectively), high phenolic content (97.34 mg GAE/g), and significant antibacterial activity (MIC = 4.68 µg/mL), especially against Pseudomonas aeruginosa, as well as against Candida albicans (MFC = 3.90 µg/mL), together with dose-dependent cytotoxic effects on the two cell lines, with IC₅₀ = 161.62 and 151.87 µg/mL, respectively. This research indicates that the EO of this plant is a potential source of a certain “chemical profile” with noteworthy antibacterial and cytotoxic properties, thus providing scientific support for its ethnobotanical use and highlighting its particular potential for developing pharmaceutical agents against infections and cancer. Full article

(This article belongs to the Special Issue Chemical Composition and Biological Activity of Essential Oils and Other Extracts: From Extraction to Application Second Edition)

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7 pages, 528 KB

Open AccessEditorial

Bioactivity of Natural Compounds: From Plants to Humans

by Guglielmina Froldi

Molecules 2026, 31(2), 295; https://doi.org/10.3390/molecules31020295 - 14 Jan 2026

Abstract

Thanks to advancements in biochemistry, biology, and pathology, natural products (NPs) continue to be a subject of intense scientific investigation [...] Full article

(This article belongs to the Special Issue Bioactivity of Natural Compounds: From Plants to Humans)

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9 pages, 865 KB

Open AccessArticle

Two New Andrastin-Type Meroterpenoids from Marine Sponge-Derived Fungus Botryosporium sp. S5I2-1

by Hui-Xian Liang, Wan-Ying Guo, Shi-Hai Xu and Bing-Xin Zhao

Molecules 2026, 31(2), 294; https://doi.org/10.3390/molecules31020294 - 14 Jan 2026

Abstract

Botryomeroterpenoids A (1) and B (2), two new andrastin-type meroterpenoids, along with two known analogues (3 and 4), were isolated from sponge-derived fungus Botryosporium sp. S5I2-1. Their structures were characterized by detailed spectroscopic analysis. Meanwhile, the absolute [...] Read more.

Botryomeroterpenoids A (1) and B (2), two new andrastin-type meroterpenoids, along with two known analogues (3 and 4), were isolated from sponge-derived fungus Botryosporium sp. S5I2-1. Their structures were characterized by detailed spectroscopic analysis. Meanwhile, the absolute configurations of 1 and 2 were elucidated by comparing experimental and calculated ECD spectra. Compounds 1 and 2 were the first examples of andrastin-type meroterpenoids isolated from this genus, especially Compound 1 which represented the initial instance of 18-norandrastin-type meroterpenoids. Furthermore, the antibacterial activities of all compounds were also evaluated. However, the results indicated that these compounds showed no significant inhibitory activity against the tested bacteria with minimum inhibitory concentration (MIC) values of 32–64 μg/mL. Full article

(This article belongs to the Special Issue Exploring Microorganisms and Their Bioactive Secondary Metabolites: From Nature to Application)

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21 pages, 10396 KB

Open AccessArticle

Physicochemical Characteristics of Potato Starch Extrudates Enriched with Edible Oils

by Marzena Włodarczyk-Stasiak, Małgorzata Jurak and Agnieszka Ewa Wiącek

Molecules 2026, 31(2), 293; https://doi.org/10.3390/molecules31020293 - 14 Jan 2026

Abstract

Starch systems and their extrudates can be used as edible films, carriers, and encapsulants for bioactive substances in various industries, primarily the food, medicine, and pharmacy industries. Using appropriate modification methods, it is possible to alter their physicochemical properties to improve specific functional [...] Read more.

Starch systems and their extrudates can be used as edible films, carriers, and encapsulants for bioactive substances in various industries, primarily the food, medicine, and pharmacy industries. Using appropriate modification methods, it is possible to alter their physicochemical properties to improve specific functional parameters, thereby enhancing their application potential. The aim of this study was to characterize potato starch extrudates enriched with two types of edible oils (rapeseed or sunflower) at concentrations of 3%, 6%, and 9%. Chemical modification was carried out using K₂CO₃ as a catalyst. The structure of native and modified starch extrudates was examined using optical/confocal microscopy, FTIR, and LTNA (low-temperature nitrogen adsorption). Analogous starch dispersions were studied using static and dynamic light scattering, SLS/DLS, nephelometric methods, and electrophoretic mobility measurements to determine surface charge levels and stability. Additionally, viscosity curves were determined as a function of time and temperature. It was found that starch extrudates with 6% sunflower oil content showed optimal functional properties, characterized by greater stability, higher structural order, and better oil complexation. These findings directly translate into significant potential applications, including the development of functional products in the food industry. Full article

(This article belongs to the Special Issue Chitosan, Chitosan Derivatives, Polysaccharides and Their Applications—3rd Edition)

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20 pages, 2244 KB

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Calculation of the pH Values of Aqueous Systems Containing Carbonic Acid and Significance for Natural Waters, Following (Near-)Exact and Approximated Solutions: The Importance of the Boundary Conditions

by Arianna Rosso and Davide Vione

Molecules 2026, 31(2), 292; https://doi.org/10.3390/molecules31020292 - 14 Jan 2026

Abstract

Calculating the pH values of carbonic acid solutions is an important task in studies of chemical equilibria in freshwater systems, with applications to environmental chemistry, geology, and hydrology. These pH values are also highly relevant in the context of climate change, since increasing [...] Read more.

Calculating the pH values of carbonic acid solutions is an important task in studies of chemical equilibria in freshwater systems, with applications to environmental chemistry, geology, and hydrology. These pH values are also highly relevant in the context of climate change, since increasing atmospheric CO₂ affects the concentration of dissolved carbon dioxide and carbonic acid, collectively denoted as [H₂CO₃*] = [H₂CO_3(aq)] + [CO_2(aq)]. Solving equilibrium systems to obtain analytical functions is particularly useful when such functions are required, for example, in data fitting. We show here that, although exact or near-exact solutions typically result in third- to fourth-order equations that must be solved numerically, reasonable approximations can be derived that lead to analytical second-order equations. In this framework, the chosen approximations need to meet the boundary conditions of the systems, particularly for c_T → 0 and for high c_T values (where c_T = [H₂CO₃*] + [HCO₃⁻] + [CO₃²⁻]). Finally, we provide exact solutions for a closed system containing both H₂CO₃* and alkalinity, which enables the description of virtually any aquatic environment without assuming equilibrium with atmospheric CO₂. Implications for pH calculations in natural waters are also briefly discussed. Full article

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15 pages, 2249 KB

Open AccessArticle

Mutagenic Potentials of DNA Interstrand Cross-Links Induced by 7,8-Dihydro-8-Oxoadenine

by Lillian F. Schmaltz, Nestor Rodriguez and Seongmin Lee

Molecules 2026, 31(2), 291; https://doi.org/10.3390/molecules31020291 - 14 Jan 2026

Abstract

DNA interstrand cross-links (ICLs) are among the most cytotoxic forms of DNA damage, arising when the two strands of the DNA helix are covalently linked by crosslink-inducing agents such as bifunctional alkylating agents and reactive aldehydes. Several studies have demonstrated that ICLs can [...] Read more.

DNA interstrand cross-links (ICLs) are among the most cytotoxic forms of DNA damage, arising when the two strands of the DNA helix are covalently linked by crosslink-inducing agents such as bifunctional alkylating agents and reactive aldehydes. Several studies have demonstrated that ICLs can also be induced by reactive oxygen and nitrogen species. We previously reported that under oxidative conditions, the major oxidative adenine lesion 7,8-dihydro-8-oxoadenine (oxoA) can efficiently generate a novel class of oxoA-G ICLs, structurally resembling guanine–guanine (G–G) cross-links that can be induced by reactive nitrogen species. To investigate the mutagenic potential of these oxidation-induced ICLs in cells, we employed a SupF-based mutagenesis assay using bacterial cells. A single site-specific oxoA–G ICL was synthesized and incorporated into a plasmid, which was then introduced into an E. coli reporter strain to assess mutation profiles induced by both oxoA and oxoA–G ICLs. Our results show that oxoA–G ICLs cause A-to-C/T and G-to-C transversion mutations at the oxoA-G cross-link site, demonstrating highly promutagenic nature of the lesion in bacterial cells. We propose that the oxoA–G ICL may promote transversion mutations, likely driven by a syn conformer of unhooked oxoA-G ICL repair intermediates during translesion synthesis. Full article

(This article belongs to the Section Bioorganic Chemistry)

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20 pages, 8025 KB

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Preferential Solvation of Zwitterionic Benzo-[f]-Quinolinium Ylids in Binary Solvent Mixtures: Spectral Study and Quantum Chemical Calculations

by Mihaela Iuliana Avadanei, Ovidiu Gabriel Avadanei and Dana Ortansa Dorohoi

Molecules 2026, 31(2), 290; https://doi.org/10.3390/molecules31020290 - 13 Jan 2026

Abstract

Three derivatives of benzo-[f]-quinolinium ylids, which all underwent an intermolecular charge transfer process, were used as solvatochromic indicators to study the specific solvent–solute interactions in binary mixtures of protic–aprotic solvents with different molar ratios. The microenvironment around the solute molecules was observed via [...] Read more.

Three derivatives of benzo-[f]-quinolinium ylids, which all underwent an intermolecular charge transfer process, were used as solvatochromic indicators to study the specific solvent–solute interactions in binary mixtures of protic–aprotic solvents with different molar ratios. The microenvironment around the solute molecules was observed via electronic absorption spectroscopy and was analyzed by employing solvation models and quantum chemical calculations. The spectral analysis suggested that the solute was preferentially solvated by the polar protic solvent, indicating a lack of synergy between the two solvents. The solvation microsphere was progressively occupied by the protic solvent, on the basis of specific solute–solvent interactions. By modeling the 1:2 (solute-coordinating solvent) complexes with explicit solvents, the binding energy for complex formation was estimated. Full article

(This article belongs to the Section Analytical Chemistry)

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