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Search Results (740)

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24 pages, 6246 KiB  
Article
Anti-Herpes Simplex Virus Type 1 Activity of Rosa damascena Mill Essential Oil and Floral Water in Retinal Infection In Vitro and In Silico
by Neli Vilhelmova-Ilieva, Rayna Nenova, Kalin Kalinov, Ana Dobreva, Dimitar Peshev and Ivan Iliev
Int. J. Mol. Sci. 2025, 26(15), 7521; https://doi.org/10.3390/ijms26157521 - 4 Aug 2025
Viewed by 110
Abstract
Recently, essential rose oils and rose products have gained increasing importance in both the cosmetic and food industries, as well as in the composition of medicinal products. We investigated the in vitro antiviral activity of essential oil and floral water from Rosa damascena [...] Read more.
Recently, essential rose oils and rose products have gained increasing importance in both the cosmetic and food industries, as well as in the composition of medicinal products. We investigated the in vitro antiviral activity of essential oil and floral water from Rosa damascena Mill against herpes simplex virus type 1 (HSV-1) infection in rabbit retinal cells (RRCs). The composition of the main chemical components in the rose essential oil was determined by means of gas chromatographic analysis. The effect on the viral replication cycle was determined using the cytopathic effect (CPE) inhibition assay. The virucidal activity, the effect on the adsorption stage of the virus to the host cell, and the protective effect on healthy cells were evaluated using the endpoint dilution method. The effects were determined as deviation in the viral titer, Δlg, for the treated cells from the one for the untreated viral control. The identified main active components of rose oil are geraniol (28.73%), citronellol (21.50%), nonadecane (13.13%), nerol (5.51%), heneicosane (4.87%), nonadecene (3.93), heptadecane (2.29), farnesol (2.11%), tricosane (1.29%), eicosane (1.01%), and eugenol (0.85%). The results demonstrated that both rose products do not have a significant effect on the virus replication but directly affect the viral particles and reduce the viral titer by Δlg = 3.25 for floral water and by Δlg = 3.0 for essential oil. Significant inhibition of the viral adsorption stage was also observed, leading to a decrease in the viral titers by Δlg = 2.25 for floral water and by Δlg = 2.0 for essential oil. When pretreating healthy cells with rose products, both samples significantly protected them from subsequent infection with HSV-1. This protective effect was more pronounced for the oil (Δlg = 2.5) compared to the one for the floral water (Δlg = 2.0). We used the in silico molecular docking method to gain insight into the mechanism of hindrance of viral adsorption by the main rose oil compounds (geraniol, citronellol, nerol). These components targeted the HSV-1 gD interaction surface with nectin-1 and HVEM (Herpesvirus Entry Mediator) host cell receptors, at N-, C-ends, and N-end, respectively. These findings could provide a structural framework for further development of anti-HSV-1 therapeutics. Full article
(This article belongs to the Special Issue Advances in Retinal Diseases: 2nd Edition)
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17 pages, 2562 KiB  
Article
Comparative Stability and Anesthetic Evaluation of Holy Basil Essential Oil Formulated in SNEDDS and Microemulsion Systems in Cyprinus carpio var. Koi
by Kantaporn Kheawfu, Chuda Chittasupho, Surachai Pikulkaew, Wasana Chaisri and Taepin Junmahasathien
Pharmaceutics 2025, 17(8), 997; https://doi.org/10.3390/pharmaceutics17080997 - 31 Jul 2025
Viewed by 181
Abstract
Background/Objectives: Holy basil (Ocimum tenuiflorum L.) essential oil exhibits antioxidant, antimicrobial, and anesthetic activities, mainly due to eugenol, methyl eugenol, and β-caryophyllene. However, its clinical application is limited by poor water solubility, instability, and low bioavailability. This study developed and compared two [...] Read more.
Background/Objectives: Holy basil (Ocimum tenuiflorum L.) essential oil exhibits antioxidant, antimicrobial, and anesthetic activities, mainly due to eugenol, methyl eugenol, and β-caryophyllene. However, its clinical application is limited by poor water solubility, instability, and low bioavailability. This study developed and compared two delivery systems, self-nanoemulsifying drug delivery systems (SNEDDS) and microemulsions (ME), to enhance their stability and fish anesthetic efficacy. Methods: The optimized SNEDDS (25% basil oil, 8.33% coconut oil, 54.76% Tween 80, 11.91% PEG 400) and ME (12% basil oil, 32% Tween 80, 4% sorbitol, 12% ethanol, 40% water) were characterized for droplet size, PDI, zeta potential, pH, and viscosity. Stability was evaluated by monitoring droplet size and PDI over time and by determining the retention of eugenol, methyl eugenol, and β-caryophyllene after storage at 45 °C. Fish anesthetic efficacy was tested in koi carp (Cyprinus carpio var. koi). Results: SNEDDS maintained a small droplet size (~22.78 ± 1.99 nm) and low PDI (0.188 ± 0.088 at day 60), while ME showed significant size enlargement (up to 177.10 ± 47.50 nm) and high PDI (>0.5). After 90 days at 45 °C, SNEDDS retained 94.45% eugenol, 94.08% methyl eugenol, and 88.55% β-caryophyllene, while ME preserved 104.76%, 103.53%, and 94.47%, respectively. In vivo testing showed that SNEDDS achieved faster anesthesia (114.70 ± 24.80 s at 120 ppm) and shorter recovery (379.60 ± 15.61 s) than ME (134.90 ± 4.70 s; 473.80 ± 16.94 s). Ethanol failed to induce anesthesia at 40 ppm and performed poorly compared to SNEDDS and ME at other concentrations (p < 0.0001). Conclusions: SNEDDS demonstrated superior physical stability and fish anesthetic performance compared to ME. These findings support SNEDDS as a promising formulation for delivering holy basil essential oil in biomedical and aquaculture applications. Full article
(This article belongs to the Special Issue Applications of Nanotechnology in Veterinary Drug Delivery)
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18 pages, 6300 KiB  
Article
Clove as a Versatile Resource: CuO Nanoparticles and Their Catalytic Role in Eugenol-Based Triazole Synthesis
by Sarra Zouaoui, Brahim Djemoui, Miloud Mohamed Mazari, Margherita Miele, Vittorio Pace, Haroun Houicha, Sérine Madji, Choukry Kamel Bendeddouche, Mehdi Adjdir and Seif El Islam Lebouachera
Processes 2025, 13(8), 2378; https://doi.org/10.3390/pr13082378 - 26 Jul 2025
Viewed by 418
Abstract
As eco-friendly processes become central to modern organic synthesis, plant-based materials are emerging as attractive alternatives for both nanoparticle fabrication and catalysis. In this study, we explore the use of clove extract, a natural and renewable resource, for the green synthesis of copper [...] Read more.
As eco-friendly processes become central to modern organic synthesis, plant-based materials are emerging as attractive alternatives for both nanoparticle fabrication and catalysis. In this study, we explore the use of clove extract, a natural and renewable resource, for the green synthesis of copper oxide (CuO) nanoparticles and their subsequent application in organic transformations. Clove extract was employed to reduce copper chloride via a simple co-precipitation method under mild conditions, yielding CuO nanoparticles characterized by XRD, FTIR, and SEM-EDX techniques. These nanoparticles were then used as catalysts in the copper-catalyzed azide–alkyne cycloaddition (CuAAC) to afford eugenol-based 1,2,3-triazoles in excellent yields. This dual use of clove extract exemplifies a sustainable approach that merges natural product valorization with efficient catalysis for triazole synthesis. Full article
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15 pages, 1565 KiB  
Article
Volatile Compounds Profiling of Fresh R. alba L. Blossom by Headspace—Solid Phase Microextraction and Gas Chromatography
by Daniela Antonova-Nedeltcheva, Ana Dobreva, Kamelia Gechovska and Liudmil Antonov
Molecules 2025, 30(15), 3102; https://doi.org/10.3390/molecules30153102 - 24 Jul 2025
Viewed by 277
Abstract
The white oil-bearing rose (R. alba L.) is the second of the industrially important rose species for Bulgarian rose cultivation and essential oil production. In recent years, the interest in white oil-bearing rose has increased, following the worldwide trend for searching for [...] Read more.
The white oil-bearing rose (R. alba L.) is the second of the industrially important rose species for Bulgarian rose cultivation and essential oil production. In recent years, the interest in white oil-bearing rose has increased, following the worldwide trend for searching for new aromatic alternatives. Therefore, the purpose of the current research is to evaluate the volatile compounds profile of fresh R. alba L. flowers using headspace solid-phase microextraction (HS-SPME) and gas chromatography-mass spectrometry (GC/MS). More than 75 individual compounds were identified and quantified using HS-SPME-GC/MS. The study revealed that the aroma-bearing fraction of rose volatiles consists mainly of monoterpene alcohols; 2-phenylethanol was the most abundant component (8.4–33.9%), followed by geraniol (12.8–32.5%) and citronellol + nerol (17.7–26.5%). Linalool, α-pinene, β-myrcene, and rose oxides were also observed in low concentrations. The stearopten fraction in the HS phase was observed in low concentration, with main representatives nonadecane + nonadecene, heptadecane, heneicosane, and tricosane. The HS-GC profile of the R. alba fresh flowers shows distinct differences in relative abundance of the components between the two studied clones of the population, as well as between volatiles in petals and in the whole blossom. The absence of some undesirable components, such as allergenic and potentially carcinogenic methyl eugenol in fresh R. alba blossom, makes white oil-bearing rose a promising alternative to R. damascena in perfumery, natural cosmetics, and aromatherapy. Full article
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22 pages, 4544 KiB  
Article
Aspirin Eugenol Ester Ameliorates HFD-Induced NAFLD in Mice via the Modulation of Bile Acid Metabolism
by Zhi-Jie Zhang, Qi Tao, Ji Feng, Qin-Fang Yu, Li-Ping Fan, Zi-Hao Wang, Wen-Bo Ge, Jian-Yong Li and Ya-Jun Yang
Int. J. Mol. Sci. 2025, 26(15), 7044; https://doi.org/10.3390/ijms26157044 - 22 Jul 2025
Viewed by 197
Abstract
Non-alcoholic fatty liver disease (NAFLD) is a highly prevalent condition worldwide and represents a major global health challenge. Pharmacological and pharmacodynamic results indicate that aspirin eugenol ester (AEE) performs various pharmacological activities. However, it is unclear whether AEE can ameliorate the NAFLD. This [...] Read more.
Non-alcoholic fatty liver disease (NAFLD) is a highly prevalent condition worldwide and represents a major global health challenge. Pharmacological and pharmacodynamic results indicate that aspirin eugenol ester (AEE) performs various pharmacological activities. However, it is unclear whether AEE can ameliorate the NAFLD. This study investigated the ameliorative effects of AEE on glucose and lipid metabolism disorders by in vitro and in vivo experiments. In the cellular model, TC increased to 0.104 μmol/mg and TG increased to 0.152 μmol/mg in the model group, while TC decreased to 0.043 μmol/mg and TG decreased to 0.058 μmol/mg in the AEE group. In the model group, the area occupied by lipid droplets within the visual field was significantly elevated to 17.338%. However, the administration of AEE resulted in a substantial reduction in this area to 10.064%. AEE significantly reduced the lipid droplet area and TC and TG levels (p < 0.05), increased bile acids in the cells and in the medium supernatant (p < 0.05), and significantly up-regulated the expression of LRH-1, PPARα, CYP7A1, and BSEP mRNA levels (p < 0.05) compared to the model group. In the animal model, different doses of AEE administration significantly down-regulated the levels of TC, TG, LDL, GSP, and FBG (p < 0.05) compared to the high-fat-diet (HFD) group, and 216 mg/kg of AEE significantly improved hepatocellular steatosis, attenuated liver injury, and reduced the area of glycogen staining (p < 0.05). In the HFD group, the glycogen area within the visual field exhibited a significant increase to 18.250%. However, the administration of AEE resulted in a notable reduction in the glycogen area to 13.314%. Liver and serum metabolomics results show that AEE can reverse the metabolite changes caused by a HFD. The major metabolites were involved in seven pathways, including riboflavin metabolism, glycerophospholipid metabolism, tryptophan metabolism, primary bile acid biosynthesis, biosynthesis of unsaturated fatty acids, nicotinate and nicotinamide metabolism, and tryptophan metabolism. In conclusion, AEE had a positive regulatory effect on NAFLD. Full article
(This article belongs to the Special Issue Using Model Organisms to Study Complex Human Diseases)
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13 pages, 2744 KiB  
Article
Preliminary Evaluation of the Synergistic Antibacterial Effects of Selected Commercial Essential Oil Compounds Against Methicillin-Resistant Staphylococcus aureus ATCC 43300
by Kacper Hartman, Maja Świerczyńska, Amelia Wieczorek, Piotr Baszuk, Iwona Wojciechowska-Koszko, Katarzyna Garbacz, Monika Sienkiewicz and Paweł Kwiatkowski
Antibiotics 2025, 14(7), 733; https://doi.org/10.3390/antibiotics14070733 - 21 Jul 2025
Viewed by 519
Abstract
Background/Objectives: Growing antibiotic resistance is one of the most significant problems of current medicine. Various research efforts are focused on the search for new substances and their combinations as potential solutions to this problem. Essential oil compounds (EOCs) are considered promising candidates [...] Read more.
Background/Objectives: Growing antibiotic resistance is one of the most significant problems of current medicine. Various research efforts are focused on the search for new substances and their combinations as potential solutions to this problem. Essential oil compounds (EOCs) are considered promising candidates in this regard. However, the interactions between these natural compounds remain understudied. This study conducted a preliminary evaluation of the antimicrobial action of various commercial EOCs (1,8-cineole, eugenol, linalyl acetate, (-)-α-pinene, limonene, α-terpineol, DL-menthol, geraniol, farnesol, carvacrol, and myrcene) alone and in combination (n = 56) against methicillin-resistant Staphylococcus aureus strain (ATCC 43300). Methods: The following parameters were studied: antibacterial activity of EOCs alone and in combination using microdilution and checkerboard assays. Results: After the initial screening, geraniol, farnesol, linalyl acetate, carvacrol, (−)-α-pinene, α-terpineol, 1,8-cineole, and eugenol exhibited antibacterial activity against the tested strain and were, therefore, selected for further evaluation in the checkerboard assay. The checkerboard assay revealed 10 synergistic interactions, with farnesol demonstrating the highest number of synergistic combinations among the tested compounds. The results highlighted its high synergistic potential in combination with eugenol, linalyl acetate, (-)-α-pinene, α-terpineol, geraniol, and carvacrol. Conclusions: In conclusion, the results help elucidate the different interactions between EOCs and may be helpful in further applications of natural compounds as antimicrobial agents in wound dressings. Overall, the most promising compound was found to be farnesol. Full article
(This article belongs to the Section Mechanism and Evolution of Antibiotic Resistance)
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11 pages, 2537 KiB  
Article
Hydrosilylation vs. Piers–Rubinsztajn: Synthetic Routes to Chemically Cross-Linked Hybrid Phosphazene-Siloxane 3D-Structures
by Andrey S. Esin, Anna I. Chernysheva, Ekaterina A. Yurasova, Ekaterina A. Karpova, Vyacheslav V. Shutov, Igor S. Sirotin, Mikhail A. Soldatov, Mikhail V. Gorlov and Oleg A. Raitman
Polymers 2025, 17(14), 1967; https://doi.org/10.3390/polym17141967 - 17 Jul 2025
Viewed by 335
Abstract
Exploration of new ways for the direct preparation of cross-linked structures is a significant problem in terms of materials for biomedical applications, lithium batteries electrolytes, toughening of thermosets (epoxy, benzoxazine, etc.) with interpenetrating polymer network, etc. The possibility to utilize hydrosilylation and Piers–Rubinsztajn [...] Read more.
Exploration of new ways for the direct preparation of cross-linked structures is a significant problem in terms of materials for biomedical applications, lithium batteries electrolytes, toughening of thermosets (epoxy, benzoxazine, etc.) with interpenetrating polymer network, etc. The possibility to utilize hydrosilylation and Piers–Rubinsztajn reactions to obtain cross-linked model phosphazene compounds containing eugenoxy and guaiacoxy groups has been studied. It was shown that Piers–Rubinsztajn reaction cannot be used to prepare phosphazene-based tailored polymer matrix due to the catalyst deactivation by nitrogen atoms of main chain units. Utilizing the hydrosilylation reaction, a series of cross-linked materials were obtained, and their properties were studied by NMR spectroscopy, FTIR, DSC, and TGA. Rheological characterizations of the prepared tailored matrices were conducted. This work showed a perspective of using eugenoxy functional groups for the preparation of three-dimensional hybrid phosphazene/siloxane-based materials for various applications. Full article
(This article belongs to the Section Polymer Chemistry)
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23 pages, 6606 KiB  
Article
Clove Oil-Based Nanoemulsion Containing Amphotericin B as a Therapeutic Approach to Combat Fungal Infections
by Marcel Lucas de Almeida, Ana Paula dos Santos Matos, Veronica da Silva Cardoso, Tatielle do Nascimento, Ralph Santos-Oliveira, Leandro Machado Rocha, Francisco Paiva Machado, Franklin Chimaobi Kenechukwu, Alane Beatriz Vermelho and Eduardo Ricci-Júnior
Pharmaceutics 2025, 17(7), 925; https://doi.org/10.3390/pharmaceutics17070925 - 17 Jul 2025
Viewed by 439
Abstract
Background/Objectives: Candidiasis, primarily caused by Candida albicans, and sporotrichosis, mainly caused by Sporothrix schenckii, are skin fungal infections that pose serious threats to global health. The Candida auris is a great concern in immunocompromised individuals, and while Sporothrix brasiliensis cause sporotrichosis, [...] Read more.
Background/Objectives: Candidiasis, primarily caused by Candida albicans, and sporotrichosis, mainly caused by Sporothrix schenckii, are skin fungal infections that pose serious threats to global health. The Candida auris is a great concern in immunocompromised individuals, and while Sporothrix brasiliensis cause sporotrichosis, an infection commonly found in cats, this disease can be transmitted to humans through scratches or bites. Existing treatments for these fungal infections often cause problems related to resistance and significant side effects. Consequently, development of alternative therapeutic approaches such as nanotechnology-based topical lipid-based formulations is interesting. Thus, the objectives of this study were to prepare clove oil (CO)-in-water nanoemulsions (NEs) containing amphotericin B (AmB) and characterize them with respect to stability, release profile, and in vitro cytotoxic activity against Candida and Sporothrix strains. As a future alternative for the treatment of fungal skin diseases. Methods: Chemical analysis of clove oil was obtained by GC-MS. The NEs were produced using an ultrasound (sonicator) method with varying proportions of CO, Pluronic® F-127, and AmB. The NEs were characterized by droplet size, morphology, stability and in vitro release profile. The antifungal and cytotoxic activity against C. albicans, C. auris, S. schenckii, and S. brasiliensis were ascertained employing agar diffusion and colorimetric MTT assay methods. A checkerboard assay was carried out using clove oil and amphotericin B against C. auris. Results: Eugenol was the major compound identified in CO at a concentration of 80.09%. AmB-loaded NEs exhibited particle sizes smaller than 50 nm and a polydispersity index below 0.25. The optimal Ne (NEMLB-05) remained stable after 150 days of storage at 4 °C. It exhibited rapid release within the first 24 h, followed by a slow and controlled release up to 96 h. NEMLB-05 more effectively inhibited C. auris compared to free AmB and also demonstrated greater activity against C. albicans, S. schenckii, and S. brasiliensis. Clove oil and amphotericin B presented synergism inhibiting the growth of C. auris. Conclusions: The selected CO-in-water NEs containing AmB demonstrated promising potential as a topical therapeutic alternative for treating fungal infections. Full article
(This article belongs to the Special Issue Nanotechnology in the Treatment of Neglected Parasitic Diseases)
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29 pages, 2840 KiB  
Review
Compositional Variability of Essential Oils and Their Bioactivity in Native and Invasive Erigeron Species
by Asta Judžentienė
Molecules 2025, 30(14), 2989; https://doi.org/10.3390/molecules30142989 - 16 Jul 2025
Viewed by 346
Abstract
To date, various species of Erigeron genus have been used both in the ethnopharmacology of numerous nations across the world and in contemporary herbal practices. The objective of this study is to revise the phytochemical data on the essential oils (EOs) of various [...] Read more.
To date, various species of Erigeron genus have been used both in the ethnopharmacology of numerous nations across the world and in contemporary herbal practices. The objective of this study is to revise the phytochemical data on the essential oils (EOs) of various fleabanes species and to evaluate the variability of their biological activities. Up to June 2025, this review provides an updated overview of 105 literature sources (published during last 25 years) related to 14 Erigeron sp. (native, naturalized, or invasive) which have been investigated extensively and are of the greatest significance. It summarizes the compositional variability of the EOs and their pharmacological and toxic effects, such as anti-inflammatory, anticancer, antiproliferative, skin regeneration, antioxidant, antifungal, antibacterial, insecticidal, larvicidal, repellent, and allelopathic activity. The EOs of each Erigeron species were characterized, and a chemical structure of 43 major constituents is presented herein. The most characteristic and prevalent compounds were found to be limonene, δ-3-carene, matricaria ester, lachnophyllum ester, germacrene D, β-caryophyllene, β-farnesene, α-bergamotene, allo-aromadendrene, etc., in the EOs from the E. acris, E. annuus, E. bonariensis, E. canadensis, E. floribundus E. mucronatus, and E. speciosus plants. Major constituents, such as borneol, bornyl acetate, modhephen-8-β-ol, cis-arteannuic alcohol, β-caryophyllene, and τ-cadinol, were found in the oils of E. graveolens (Inula graveolens). A paucity of data concerning E. incanus EOs was revealed, with the prevalence of 3-hydroxy-4-methoxy cinammic acid and thymol acetate noted in the oils. The EOs from E. multiradiatus and E. sublyratus were comprised mainly of matricaria and lachnophyllum esters. The available data on EOs of E. ramosus is limited, but the main constituents are known to be α-humulene, 1,8-cineole, eugenol, and globulol. The EOs containing appreciable amounts of matricaria and lachnophyllum esters exhibited strong anticancer, anti-inflammatory, antimicrobial, larvicidal, and repellent activities. Repellence is also related to borneol, bornyl acetate, caryophyllene derivatives, τ-cadinol, modhephen-8-β-ol, and cis-arteannuic alcohol. Cytotoxicity was determined due to the presence of limonene, δ-3-carene, α- and β-farnesene, (E)-β-ocimene, ledene oxide, sesquiphellandrene, and dendrolasin in the fleabanes EOs. Skin regeneration and antifungal properties were related to germacrene D; and anti-inflammatory effects were determined due to high amounts of limonene (E)-β-ocimene, lachnophyllum ester, and germacrene D. The antimicrobial properties of the oils were conditioned by appreciable quantities of limonene, β-pinene, 1,8-cineole, carvacrol, thymol acetae, β-eudesmol, 2,6,7,7α-tetrahydro-1,5-dimethyl-1H-indene-3-carboxaldehyde, caryophyllene and its oxide, allo-aromadendrene, α-humulene, farnesene, carvacrol, and eugenol. This review provides a foundation for further studies on volatile secondary metabolites to explore the potential sources of new biologically active compounds in Erigeron sp. Full article
(This article belongs to the Collection Featured Reviews in Natural Products Chemistry)
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32 pages, 5019 KiB  
Article
Syzygium aromaticum Phytoconstituents Target SARS-CoV-2: Integrating Molecular Docking, Dynamics, Pharmacokinetics, and miR-21 rs1292037 Genotyping
by Mustafa Ahmed Muhmood, Faiza Safi, Mohammed Mukhles Ahmed and Safaa Abed Latef Almeani
Viruses 2025, 17(7), 951; https://doi.org/10.3390/v17070951 - 5 Jul 2025
Viewed by 1610
Abstract
Background and aim: The COVID-19 pandemic, caused by SARS-CoV-2, remains a global health crisis despite vaccination efforts, necessitating novel therapeutic strategies. Natural compounds from Syzygium aromaticum (clove), such as eugenol and β-caryophyllene, exhibit antiviral and anti-inflammatory properties, while host genetic factors, including miR-21 [...] Read more.
Background and aim: The COVID-19 pandemic, caused by SARS-CoV-2, remains a global health crisis despite vaccination efforts, necessitating novel therapeutic strategies. Natural compounds from Syzygium aromaticum (clove), such as eugenol and β-caryophyllene, exhibit antiviral and anti-inflammatory properties, while host genetic factors, including miR-21 rs1292037 polymorphism, may influence disease susceptibility and severity. This study investigates the dual approach of targeting SARS-CoV-2 via Syzygium aromaticum phytoconstituents while assessing the role of miR-21 rs1292037 in COVID-19 pathogenesis. Methods: Firstly, molecular docking and molecular dynamics simulations were employed to assess the binding affinities of eugenol and caryophyllene against seven key SARS-CoV-2 proteins—including Spike-RBD, 3CLpro, and RdRp—using SwissDock (AutoDock Vina) and the Desmond software package, respectively. Secondly, GC-MS was used to characterize the composition of clove extract. Thirdly, pharmacokinetic profiles were predicted using in silico models. Finally, miR-21 rs1292037 genotyping was performed in 100 COVID-19 patients and 100 controls, with cytokine and coagulation markers analyzed. Results: Docking revealed strong binding of eugenol to viral Envelope Protein (−5.267 kcal/mol) and caryophyllene to RdRp (−6.200 kcal/mol). ADMET profiling indicated favorable absorption and low toxicity. Molecular dynamics simulations confirmed stable binding of methyl eugenol and caryophyllene to SARS-CoV-2 proteins, with caryophyllene–7Z4S showing the highest structural stability, highlighting its strong antiviral potential. Genotyping identified the TC genotype as prevalent in patients (52%), correlating with elevated IL-6 and D-dimer levels (p ≤ 0.01), suggesting a hyperinflammatory phenotype. Males exhibited higher ferritin and D-dimer (p < 0.0001), underscoring sex-based disparities. Conclusion: The bioactive constituents of Syzygium aromaticum exhibit strong potential as multi-target antivirals, with molecular simulations highlighting caryophyllene’s particularly stable interaction with the 7Z4S protein. Methyl eugenol also maintained consistent binding across several SARS-CoV-2 targets. Additionally, the miR-21 rs1292037 polymorphism may influence COVID-19 severity through its role in inflammatory regulation. Together, these results support the combined application of phytochemicals and genetic insights in antiviral research, pending further clinical verification. Full article
(This article belongs to the Special Issue Recent Advances in Antiviral Natural Products 2025)
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24 pages, 1299 KiB  
Article
Comprehensive Phytochemical Analysis and Evaluation of Antioxidant, Antimicrobial, Cytotoxic, and Immunomodulatory Activities of Commercial Cinnamon Bark Essential Oil (Cinnamomum zeylanicum L.)
by Milja Živković, Isidora Stanisavljević, Nevena Gajović, Slađana Pavlović, Bojana Simović Marković, Ivan P. Jovanović, Snežana Cupara, Vanja Tadić, Ana Žugić, Marina T. Milenković and Ana Barjaktarević
Int. J. Mol. Sci. 2025, 26(13), 6482; https://doi.org/10.3390/ijms26136482 - 5 Jul 2025
Viewed by 603
Abstract
The essential oil derived from the bark of Cinnamomum zeylanicum L., Lauraceae, has gained significant attention because of its numerous biological benefits. This study aimed to perform a phytochemical analysis of commercially available Cinnamomum zeylanicum bark essential oil and to evaluate its [...] Read more.
The essential oil derived from the bark of Cinnamomum zeylanicum L., Lauraceae, has gained significant attention because of its numerous biological benefits. This study aimed to perform a phytochemical analysis of commercially available Cinnamomum zeylanicum bark essential oil and to evaluate its antioxidant, antimicrobial, immunomodulatory, and antitumor properties. GC–MS analysis was employed to determine the phytochemical composition. The major component of the total essential oil composition was (E)-cinnamaldehyde, constituting 77.93%, followed by eugenol (4.34%), E-caryophyllene (3.68%), and linalool (2.79%). The antioxidant activity was confirmed by DPPH, ABTS, CUPRAC, and TAC assays. In the broth microdilution assay, cinnamon essential oil demonstrated strong antimicrobial activity, with MIC values ranging from 7.37 to 29.50 µg/mL. Furthermore, cinnamon essential oil demonstrated selective antitumor activity by inducing apoptosis and cell-cycle arrest in human colorectal cancer cells (HCT116) while sparing non-cancerous cells (MRC-5). In HCT116 cells, cinnamon essential oil induced apoptosis, downregulated Cyclin D and p-AKT, and caused G1-phase arrest. Additionally, cinnamon essential oil modulated immune responses by reducing pro-inflammatory cytokine production in activated splenocytes and enhancing pro-inflammatory activity in naïve cells. These findings highlight the great potential of the cinnamon bark essential oil in the development of new therapeutic agents. Full article
(This article belongs to the Special Issue Recent Advances in Medicinal Plants and Natural Products)
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18 pages, 2445 KiB  
Article
Eutectic Mixtures Based on Oleic Acid and Pulsed Electric Fields: A Strategy for the Extraction of Astaxanthin from Dry Biomass of Xanthophyllomyces dendrorhous
by Javier Marañés, Alejandro Berzosa, Fernando Bergua, Javier Marín-Sánchez, Javier Raso and Manuela Artal
Foods 2025, 14(13), 2371; https://doi.org/10.3390/foods14132371 - 4 Jul 2025
Viewed by 397
Abstract
The use of astaxanthin (AST) is expanding from its origins as a food coloring to health-related applications. This paper evaluates the efficiency of its extraction from dried Xanthophyllomyces dendrorhous using two combined and consecutive techniques. First, cell membrane permeation is achieved with the [...] Read more.
The use of astaxanthin (AST) is expanding from its origins as a food coloring to health-related applications. This paper evaluates the efficiency of its extraction from dried Xanthophyllomyces dendrorhous using two combined and consecutive techniques. First, cell membrane permeation is achieved with the application of pulsed electric fields (PEFs). Solid–liquid extraction is then performed with hydrophobic eutectic solvents (hESs) prepared by mixing components of essential oils (linalool, l-menthol, eugenol, geraniol, cinnamyl alcohol, or thymol) and oleic acid. The hESs were characterized by measuring of several thermophysical properties at 25 °C and 0.1 MPa. An initial screening was performed to choose the best solvent and the extraction conditions (composition, extraction time, and temperature) were evaluated using the response surface methodology. The results showed the importance of the electroporation as a preliminary step to the extraction. The more hydrophobic and less compact the hES, the more effective the solvent. Thus, the equimolar mixture of l-menthol and oleic acid achieved an efficiency of 77% for untreated biomass, 83% for that treated with PEF, and 92% for that treated with PEF and later incubated. Molecular dynamics simulations demonstrated the importance of the hydrophobic interactions between AST and the components of the best solvent. Full article
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24 pages, 5036 KiB  
Article
Eugenol@natural Zeolite vs. Citral@natural Zeolite Nanohybrids for Gelatin-Based Edible-Active Packaging Films
by Achilleas Kechagias, Areti A. Leontiou, Yelyzaveta K. Oliinychenko, Alexandros Ch. Stratakos, Konstantinos Zaharioudakis, Katerina Katerinopoulou, Maria Baikousi, Nikolaos D. Andritsos, Charalampos Proestos, Nikolaos Chalmpes, Aris E. Giannakas and Constantinos E. Salmas
Gels 2025, 11(7), 518; https://doi.org/10.3390/gels11070518 - 3 Jul 2025
Viewed by 428
Abstract
In this study, aligned with the principles of the circular economy and sustainability, novel eugenol@natural zeolite (EG@NZ) and citral@natural zeolite (CT@NZ) nanohybrids were developed. These nanohybrids were successfully incorporated into a pork gelatin (Gel)/glycerol (Gl) composite matrix using an extrusion–compression molding method to [...] Read more.
In this study, aligned with the principles of the circular economy and sustainability, novel eugenol@natural zeolite (EG@NZ) and citral@natural zeolite (CT@NZ) nanohybrids were developed. These nanohybrids were successfully incorporated into a pork gelatin (Gel)/glycerol (Gl) composite matrix using an extrusion–compression molding method to produce innovative active packaging films: Gel/Gl/xEG@NZ (where x = 5, 10, and 15%wt.) and Gel/Gl/xCT@NZ (where x = 5 and 10%wt.). All films exhibited zero oxygen barrier properties. Release kinetic studies showed that both EG@NZ and CT@NZ nanohybrids adsorbed up to 58%wt. of their respective active compounds. However, EG@NZ exhibited a slow and nearly complete release of eugenol, whereas CT@NZ released approximately half of its citral content at a faster rate. Consequently, the obtained Gel/Gl/xEG@NZ films demonstrated significantly higher antioxidant activity as measured by the 2,2-diphenyl-1-picrylhydrazylradical (DPPH) assay and superior antibacterial effectiveness against Escherichia coli and Listeria monocytogenes compared to their CT-based counterparts. Overall, the Gel/Gl/xEG@NZ films show strong potential for applications as active pads for fresh pork ham slices, offering zero oxygen permeability, enhanced antioxidant and antibacterial properties, and effective control of total viable count (TVC) growth, maintaining a low and steady rate beyond the 10th day of a 26-day storage period. Full article
(This article belongs to the Special Issue Edible Gel Coatings and Membranes)
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30 pages, 4520 KiB  
Article
Optimization of Eugenol, Camphor, and Terpineol Mixture Using Simplex-Centroid Design for Targeted Inhibition of Key Antidiabetic Enzymes
by Amine Elbouzidi, Mohamed Jeddi, Abdellah Baraich, Mohamed Taibi, Mounir Haddou, Naoufal El Hachlafi, Meryem Idrissi Yahyaoui, Reda Bellaouchi, Bouchra El Guerrouj, Khalid Chaabane and Mohamed Addi
Curr. Issues Mol. Biol. 2025, 47(7), 512; https://doi.org/10.3390/cimb47070512 - 2 Jul 2025
Viewed by 409
Abstract
The optimization of bioactive compound mixtures is critical for enhancing pharmacological efficacy. This study investigates, for the first time, the combined effects of eugenol, camphor, and terpineol, focusing on their half-maximal inhibitory concentrations (IC50) across multiple biological responses related to diabetes [...] Read more.
The optimization of bioactive compound mixtures is critical for enhancing pharmacological efficacy. This study investigates, for the first time, the combined effects of eugenol, camphor, and terpineol, focusing on their half-maximal inhibitory concentrations (IC50) across multiple biological responses related to diabetes management. Using a mixture design approach, the objective was to determine the optimal formulation that maximizes bioactivity and validate the findings experimentally. A simplex-centroid design was applied to evaluate the combined effects of eugenol, camphor, and terpineol on AAI IC50, AGI IC50, LIP IC50, and ALR IC50 responses. The desirability function was used to determine the ideal composition. The optimized formulation was experimentally validated using in vitro assays, and IC50 values were measured for each response using standard protocols. Results: The optimal formulation identified was 44% eugenol, 0.19% camphor, and 37% terpineol, yielding IC50 values of 10.38 µg/mL (AAI), 62.22 µg/mL (AGI), 3.42 µg/mL (LIP), and 49.58 µg/mL (ALR). The desirability score (0.99) confirmed the effectiveness of the optimized blend. Experimental validation of the optimal mixture resulted in IC50 values of 11.02 µg/mL (AAI), 60.85 µg/mL (AGI), 3.75 µg/mL (LIP), and 50.12 µg/mL (ALR), showing less than 10% deviation from predicted values, indicating high model accuracy. This study confirms the combined potential of eugenol, camphor, and terpineol, with eugenol and terpineol significantly enhancing bioactivity. The validated formulation demonstrates potential for pharmaceutical and cosmeceutical applications. Future research should explore mechanistic interactions, bioavailability, and in vivo efficacy to support the development of optimized natural compound-based therapies. Full article
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26 pages, 905 KiB  
Review
Advancements in Antimicrobial Surface Coatings Using Metal/Metaloxide Nanoparticles, Antibiotics, and Phytochemicals
by Preetha Ebenezer, S. P. S. N. Buddhika Sampath Kumara, S. W. M. A. Ishantha Senevirathne, Laura J. Bray, Phurpa Wangchuk, Asha Mathew and Prasad K. D. V. Yarlagadda
Nanomaterials 2025, 15(13), 1023; https://doi.org/10.3390/nano15131023 - 1 Jul 2025
Viewed by 446
Abstract
The growing prevalence of bacterial infections and the alarming rise of antimicrobial resistance (AMR) have driven the need for innovative antimicrobial coatings for medical implants and biomaterials. However, implant surface properties, such as roughness, chemistry, and reactivity, critically influence biological interactions and must [...] Read more.
The growing prevalence of bacterial infections and the alarming rise of antimicrobial resistance (AMR) have driven the need for innovative antimicrobial coatings for medical implants and biomaterials. However, implant surface properties, such as roughness, chemistry, and reactivity, critically influence biological interactions and must be engineered to ensure biocompatibility, corrosion resistance, and sustained antibacterial activity. This review evaluates three principal categories of antimicrobial agents utilized in surface functionalization: metal/metaloxide nanoparticles, antibiotics, and phytochemical compounds. Metal/metaloxide-based coatings, especially those incorporating silver (Ag), zinc oxide (ZnO), and copper oxide (CuO), offer broad-spectrum antimicrobial efficacy through mechanisms such as reactive oxygen species (ROS) generation and bacterial membrane disruption, with a reduced risk of resistance development. Antibiotic-based coatings enable localized drug delivery but often face limitations related to burst release, cytotoxicity, and diminishing effectiveness against multidrug-resistant (MDR) strains. In contrast, phytochemical-derived coatings—using bioactive plant compounds such as curcumin, eugenol, and quercetin—present a promising, biocompatible, and sustainable alternative. These agents not only exhibit antimicrobial properties but also provide anti-inflammatory, antioxidant, and osteogenic benefits, making them multifunctional tools for implant surface modification. The integration of these antimicrobial strategies aims to reduce bacterial adhesion, inhibit biofilm formation, and enhance tissue regeneration. By leveraging the synergistic effects of metal/metaloxide nanoparticles, antibiotics, and phytochemicals, next-generation implant coatings hold the potential to significantly improve infection control and clinical outcomes in implant-based therapies. Full article
(This article belongs to the Special Issue Nanocoating for Antibacterial Applications)
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