Search Results (285)

Natural products have played an important role in the discovery and development of antibacterial agents. This paper described the isolation of a new ursane-type pentacyclic triterpenoid, (18β,19αH)-3-oxo-urs-12-en-27α-oic acid (2), from the tree bark of Sandoricum koetjape Merr. Along with this, five known compounds—β-caryophyllene oxide (1), bryononic acid (3), 7-deacetylgedunin (4), 7-deacetyl-7-oxogedunin (5), and 12,20-dihydroxydammar-24-en-3-one (6)—were successfully isolated, and one compound, 12β-hydroxydammarenolic acid (7), was reported in our previous report. All compounds (1–7) were tested with their antibacterial properties against two Gram-positive (Enterococcus faecalis and Staphylococcus saprophyticus) and two Gram-negative (Citrobacter freundii and Salmonella enterica) bacteria. The structures of the isolated compounds were elucidated using NMR spectroscopy and mass spectrometry data. A preliminary antibacterial assay showed that only compound 7 inhibited the growth of the tested bacteria, with an inhibition zone diameter of 7.5–9 mm at a concentration of 1 mg/mL. DFT analyses explained electronic profiles with HOMO-LUMO gaps (4.54–6.34 eV) and electrophilicity from 1.73 to 4.39 eV. To elucidate the antibacterial mechanism of compound 7, a molecular docking study was conducted. The findings from both in vitro and in silico analyses suggest that compound 7 is a promising antibacterial candidate for further investigation. Full article

The COVID-19 pandemic has reignited interest in traditional medicinal plants as potential therapeutic agents. This study examined the chemical composition, cytotoxicity, and antimicrobial activity of essential oils from six Moroccan medicinal plants, namely, Eucalyptus globulus, Artemisia absinthium, Syzygium aromaticum, Thymus vulgaris, Artemisia alba, and Santolina chamaecyparissus, which are commonly used by the Moroccan population for COVID-19 prevention. The chemical composition of each essential oil was determined using gas chromatography–mass spectrometry (GC–MS) to identify key compounds. Cytotoxicity was evaluated in the Vero E6 cell line, which is frequently used in SARS-CoV-2 research, using the neutral red assay, with oil concentrations ranging from 25 to 100 µg/mL. Antimicrobial activity was tested against standard reference strains, including Escherichia coli (ATCC 25922), Pseudomonas aeruginosa (ATCC 27853), Staphylococcus aureus (ATCC 25923), Candida albicans (ATCC 10231), and Bacillus subtilis (ATCC 6633), using the disc diffusion method. GC–MS analysis revealed significant components such as spathulenol (15%) and caryophyllene oxide (7.67%) in Eucalyptus globulus and eugenol (54.96%) in Syzygium aromaticum. Cytotoxicity assays indicated that higher concentrations of essential oils significantly reduced cell viability, with Thymus vulgaris showing the highest IC₅₀ (8.324 µM) and Artemisia absinthium the lowest (18.49 µM). In terms of antimicrobial activity, Eucalyptus globulus had the strongest effect, with a 20 ± 0.00 mm inhibition zone against Bacillus subtilis, whereas both Syzygium aromaticum and Artemisia herba-alba had a 12.25 ± 0.1 mm inhibition zone against the same strain. These findings suggest that these essential oils have significant therapeutic potential, particularly in combating antimicrobial resistance and exerting cytotoxic effects on viral cell lines. Further research is necessary to explore their mechanisms of action and ensure their safety for therapeutic use. Full article

Background: Chronic inflammatory skin disorders, including atopic dermatitis, psoriasis, acne, and chronic wounds, affect nearly two billion people worldwide, impose substantial morbidity and economic burden, and remain only partially controlled by existing therapies. The cutaneous endocannabinoid system (ECS), comprising cannabinoid receptors, endocannabinoids, and their metabolic enzymes, regulates inflammation, pruritus, barrier integrity, and tissue repair; cannabinoid receptor type 2 (CB₂) has emerged as a particularly relevant target. β-Caryophyllene (BCP), a dietary sesquiterpene and highly selective CB₂ agonist with favorable safety and pharmacokinetic attributes, has attracted attention as a promising topical candidate. Methods: We systematically searched PubMed, Embase, and Web of Science (inception–30 July 2025) for studies on “β-caryophyllene” and dermatological outcomes, prioritizing purified BCP and analytically characterized BCP-rich fractions. Quantitative parameters, including tested concentration ranges (0.5 µM–10%) and principal mechanistic outcomes, were extracted to provide a translational context. Results: BCP penetrates the stratum corneum, suppresses NF-κB/MAPK and IL-4/TSLP pathways, enhances Nrf2-driven antioxidant defenses, and accelerates re-epithelialization and collagen remodeling. Across in vitro, in vivo, and formulation studies, BCP produced consistent anti-inflammatory and barrier-restorative effects within this concentration range. CB₂ antagonism attenuated these responses, confirming receptor specificity. BCP’s volatility and autoxidation to β-caryophyllene oxide (BCPO) necessitate stability-by-design strategies using antioxidants, low-oxygen processing, and protective packaging. Human evidence, limited to BCP-rich botanicals such as Copaifera oleoresins, suggests benefits for scars, wounds, and acne but lacks compound-specific validation. Conclusions: BCP exhibits coherent CB₂-mediated anti-inflammatory, antipruritic, antioxidant, and reparative actions with a favorable safety profile. Dose-defined, oxidation-controlled clinical trials of purified BCP are warranted to establish its potential as a steroid-sparing topical therapy. Full article

Postharvest fungal rot causes significant economic losses in the agroindustry. Current control methods involving the use of synthetic fungicides are becoming increasingly ineffective and pose environmental risks. This necessitates exploring sustainable alternatives, such as essential oils derived from medicinal plants, to achieve safer and effective disease control. This research examined the chemical composition and efficacy of essential oils from Aloysia citriodora, Aloysia polystachya and their compounds against the postharvest rot fungi Monilinia fructicola, Monilinia laxa, and Botrytis cinerea. The main compounds of essential oils were analyzed by GC/MS and revealed differences in their composition. A. citriodora is characterized by the presence of spathulenol and caryophyllene oxide. In contrast, A. polystachya is characterized by the predominance of carvone. The results show that the essential oil of A. citriodora and the compound farnesol are able to inhibit the three pathogens. Notably, against M. fructicola, the EC₅₀ values were 61.89 μg/mL and 72.18 μg/mL, respectively. Against B. cinerea, the EC₅₀ values were 85.34 μg/mL and 47.6 μg/mL. Molecular docking also showed that farnesol has affinity for the enzyme succinate dehydrogenase suggesting a possible mechanism of action. This compound and A. citriodora essential oil show potential in the control of phytopathogens. Full article

Origanum petraeum Danin, an endemic medicinal shrub from Jordan, belongs to the Lamiaceae family and possesses significant pharmaceutical potential, yet its secondary metabolite profile remains largely unexplored. This study evaluated the effects of two types of nanoparticles, silver (Ag) and copper (Cu), on in vitro propagation and secondary metabolite composition in O. petraeum microshoots. Sterilized buds were used to initiate in vitro cultures on Murashige and Skoog (MS) medium supplemented with gibberellic acid (GA₃) at 0.5 mg/L. Microshoots were treated with nanoparticles at concentrations of 0, 25, 50, 100, and 150 mg/L. AgNPs at 100 mg/L promoted growth, increasing the number of microshoots to 11.6 and shoot height to 9.22 cm. Transmission electron microscopy confirmed nanoparticle uptake and translocation, with AgNPs observed in root cells as small particles (≤24.63 nm), while CuNPs formed aggregates in leaves (47.71 nm). GC-MS analysis revealed that nanoparticles altered the volatile composition; 50 mg/L CuNPs enhanced monoterpenes, including α-terpinyl acetate (29.23%) and geranyl acetate (12.76%), whereas 50 mg/L AgNPs increased sesquiterpenes, such as caryophyllene oxide (28.45%). Control in vitro cultures without nanoparticles showed simpler profiles dominated by caryophyllene oxide, while wild plants contained both monoterpenes and sesquiterpenes, with eudesm-7(11)-en-4-ol (25.10%) as the major compound. Nutrient analysis indicated that nanoparticles influenced nutrient composition in microshoots. This study is the first to report nanoparticle-assisted growth and essential oil composition in O. petraeum, demonstrating their potential to enhance growth and secondary metabolite production for pharmacological and biotechnological applications. Full article

Arnica montana L. (mountain arnica) is a medicinal plant with diverse biological activities commonly used in pharmacy and cosmetics. The attributes of A. montana are related to e.g., the concentration and chemical composition of its essential oils (EOs). Therefore, the objective of this study was to: (i) characterize the chemical composition of EOs obtained from mountain arnica flower heads, rhizomes, and roots used as a pharmacopoeial material, (ii) demonstrate the effects of particular EO types and their combinations on antibacterial activity, and (iii) demonstrate the effect of the presence of A. montana EOs and their combinations with commercial antibiotics on their antibacterial activity. Essential oils obtained by hydrodistillation from different parts of A. montana were screened for their chemical composition and antibacterial properties. The chemical composition of the EOs was determined using the GC–MS technique. E-caryophyllene, caryophyllene oxide, germacrene D, farnesyl acetate, and dodecanal were the main components of the EO distilled from the flower heads. In turn, 2,5-dimethoxy-p-cymene, 2,6-diisopropylanisole, p-methoxyheptanophenone, and thymol methyl ether were the main molecules detected in the EO from the A. montana rhizomes and roots. The data clearly indicate that the presence of mountain arnica EO alone and in the interaction with commercial antibiotics (amoxicillin, ciprofloxacin, metronidazole) has a beneficial effect on their antibacterial activity. Full article

Neurodevelopmental disorders (NDDs) represent significant public health challenges due to their multifactorial etiology and clinical heterogeneity. Current treatments remain limited, highlighting the need for novel therapeutic strategies. This study aimed to identify neuroprotective natural compounds targeting NDD-associated pathways and describe an integrative computational pipeline combining in silico screening, network pharmacology, and molecular docking approaches to accelerate NDD drug discovery. An integrative computational pipeline was developed through sequential phases: (1) systematic screening of the Traditional Chinese Medicine Systems Pharmacology Database (TCMSP) for natural compounds meeting drug-likeness criteria and toxicity thresholds; (2) biological activity prediction; (3) network pharmacology analysis integrating compound targets and NDD-associated genes; (4) protein–protein interaction network construction and functional enrichment; and (5) molecular docking validation of top compounds against prioritized targets. From 2634 initial compounds, 10 met all selection criteria. Network analysis revealed significant interactions between compound targets and NDD-associated genes, with enrichment in neurodevelopment, cognition, and synaptic regulation pathways. Three key targets emerged as hubs: CSNK2B, GRIN1, and MAPK1. Molecular docking demonstrated high-affinity binding of caryophyllene oxide, linoleic acid, and tangeretin, supported by stable interactions with catalytic residues. This study identifies caryophyllene oxide, linoleic acid, and tangeretin as promising multi-target compounds for NDD intervention, with verified interactions against key neurodevelopmental targets. The integrative computational pipeline effectively bridges traditional medicine knowledge with modern drug discovery, offering a strategy to accelerate neurotherapeutic development while reducing experimental costs. These findings warrant further experimental validation of the prioritized compounds. Full article

Neurodegenerative diseases (NDDs) represent a class of incurable and progressive disorders characterized by the gradual degeneration of the structure and function of the nervous system, particularly the brain and spinal cord. A range of innovative therapeutic approaches is currently under investigation, such as stem cell-based therapies, gene-editing platforms such as CRISPR, and immunotherapies directed at pathogenic proteins. Moreover, phytochemicals such as β-caryophyllene and xanthohumol have demonstrated significant neuroprotective potential in preclinical models. These natural agents exert multifaceted effects by modulating neuroinflammatory pathways, oxidative stress responses, and aberrant protein aggregation—pathological mechanisms that are central to the development and progression of neurodegenerative disorders. Recent investigations have increasingly emphasized the optimization of the pharmacokinetic properties of β-caryophyllene and xanthohumol through the development of advanced drug-delivery systems, including polymer- and lipid-based nano- and microscale carriers. Such advancements not only enhance the bioavailability and therapeutic potential of these phytochemicals but also underscore their growing relevance as natural candidates in the development of future interventions for neurodegenerative disorders. Full article

Cannabis sativa L. is an aromatic medicinal plant with various biologically active classes of compounds such as cannabinoids, polyphenols, and terpenes. Unlike the widely investigated inflorescence and leaf, the stembark of C. sativa has been overlooked regarding its medicinal potential. This study, therefore, was aimed at determining the chemical composition and antioxidant activity of the essential oils (EOs) obtained from the fresh and dried stembark of two C. sativa cultivars, Lifter and Cherrywine, grown in Komga, South Africa, with a view to ascertaining the more promising cultivar. The chemical profiles of the hydro-distilled EOs were analyzed by gas chromatography-mass spectrometry (GC-MS), while an in vitro antioxidant activity assessment of the EOs was performed using DPPH and H₂O₂ spectrophotometric methods. The identified constituents from the EOs were molecularly docked against NOX2, a protein implicated in oxidative stress. The afforded EOs were colorless with a mild skunk-like odor. A total of thirty-two constituents were identified in both fresh and dry oils from the Lifter cultivar while the Cherrywine cultivar contained a total of forty-two constituents. The EOs of both cultivars contained twenty compounds, notably Cannabidiol (0.25–85.03%), Caryophyllene oxide (1.27–19.58%), Caryophyllene (0.64–16.61%), Humulene (0.37–8.15%), Octacosane (3.37–6.55%), Humulene-1,2-epoxide (0.45–5.78%), Nerolidol (0.32–4.99%), Palmitic acid (1.45–4.45%), Tetracosane (1.75–2.91%), Dronabinol (0.86–2.86%), Cannabinol (0.54–1.64%), 7-epi-γ-eudesmol (0.53–1.00%), Guaiol (0.37–0.66%), Linoleic acid (0.22–0.60%), γ-Selinene (0.15–0.48%), β-Eudesmol (0.34–0.50%), and Linalool (0.24–0.30%). The dried Lifter stembark oil (DLSO) gave the best antioxidant activity among the four investigated cannabis oils, exhibiting the lowest IC₅₀ values of 21.68 ± 1.71 and 26.20 ± 1.34 µg/mL against DPPH and H₂O₂ radicals, respectively. The notable antioxidant activity of the DLSO may be attributed to the higher number (30) of constituents compared to the fresh Lifter stembark oil (LSO) with 11 constituents. Additionally, the DLSO showed a unique chemical profile comprising monoterpenes, oxygenated and hydrocarbon sesquiterpenes. Further in silico studies on the putative constituents in the Lifter cultivar revealed Cannabinol, Cannabidiol, and Linalool as the promising constituents based on their higher binding energy scores of −9.7, −8.5, and −6.5 kcal/mol, respectively, compared to L-Ascorbic acid (−5.7 kcal/mol). It can be inferred from this study that the EOs from the stembark of C. sativa contain promising compounds, such as Cannabinol, Cannabidiol, and Linalool, which might be responsible for the displayed antioxidant activity of the oils. Thus, the study findings underscore the biological importance of C. sativa stembark in the management of oxidative stress-related conditions. Full article

Trypanosoma cruzi is the protozoan parasite that causes Chagas disease, affecting approximately 6–7 million people worldwide. The current treatment lacks efficacy in the chronic phase of the disease. This study aims to determine the in vitro synergistic activity of concomitant therapy (benznidazole with β-caryophyllene oxide) against Trypanosoma cruzi, assess its cytotoxicity, and propose the mechanism of this synergism through in silico analysis. The tested concentrations of the treatment demonstrated hemocompatibility (<5% hemolysis) and no cytotoxicity (>80% cell viability). Additionally, synergistic activity against the parasite was confirmed, reducing epimastigote viability by up to 80%. In this work, in silico analysis revealed that β-caryophyllene oxide also binds to the T. cruzi ABC channel in regions localized to amino acids 108–271 and 399–558, suggesting this interaction could inhibit it. This treatment emerges as a promising candidate for Chagas disease therapy. It lacks cytotoxic and hemolytic activity while exhibiting synergism against the parasite, such as through the inhibition of ABC channels, as suggested in silico. Full article

Dental enamel discoloration, extrinsic staining, and periodontal biofilms remain persistent challenges in oral health. This study explores the in vitro, dual-functional potential of Magnolia figo flower extract (FMO), a sesquiterpene-rich botanical active phytochemical ingredient (API), for aesthetic and antimicrobial oral applications. FTIR identified characteristic terpenoid and long-chain fatty acid functional groups, including β-elemene, γ-elemene, and caryophyllene oxide. Whitening efficacy on coffee-stained bovine enamel was quantified using CIELAB colorimetry. The 0.5% FMO treatment achieved ΔE* = 8.49, which was within the clinical perceptibility threshold and the optimal biocompatibility balance. SEM confirmed no demineralization on the enamel surface after immersion in 3.0% FMO for 12 h. Antimicrobial assays demonstrated inhibition of Porphyromonas gingivalis, with MIC and MBC values of 0.25% and 0.5%, respectively. Biofilm formation was reduced by over 50% at a 0.148% concentration. Cytocompatibility assays using HGF-1 cells with various concentrations of FMO showed reduced cell viability at higher concentrations. When exposed for 5 min (simulating daily oral care) or 2 h, 0.5% FMO exhibited greater biocompatibility with L929 cells compared to toothpaste and peroxide-based agents. These findings suggest that FMO may serve as a natural candidate for dual-function oral care; however, further in vivo and clinical investigations are needed to validate its potential use within oral care treatments. Full article

Tarragon extracts, especially from Artemisia dracunculus, have shown their potential as natural pesticides and can harm aquatic ecosystems. In addition, waste from tarragon essential oil production can also contribute to aquatic pollution if not properly managed. In this study, a hydrodistillate and a commercial tarragon essential oil were considered to evaluate their effects on aquatic ecosystems. A growth inhibition test was performed using Lemna minor to evaluate the potential ecotoxicity of tarragon extracts, and a biochemical test was performed to investigate the potential effects of the lowest volume of oil, which did not cause any visible impact on this organism. The results showed that the hydrodistillate did not show toxic effects on L. minor, but the essential oil demonstrated potential ecotoxicity, with volumes of 0.5 µL and above leading to percentage reductions in frond numbers of 50% and higher. The biochemical assay revealed no significant differences between the negative control and the lowest volume of oil tested, suggesting the absence of biochemical effects at low exposure levels. The effects of compounds identified at higher concentrations in the tarragon extracts on other aquatic organisms were predicted using the admetSAR3.0 tool, and potential toxicity against numerous aquatic organisms was emphasized, particularly for cis-beta-ocimene, trans-beta-ocimene, and caryophyllene oxide. These findings emphasize the need for careful consideration of both the application dose and disposal practices of tarragon-based products. Full article

Essential oils (EOs) constitute intricate mixtures of volatile phytochemicals that have garnered significant attention due to their multifaceted biological effects. Notably, the presence of bioactive constituents capable of inhibiting tyrosinase enzyme activity and scavenging reactive oxygen species (ROS) underpins their potential utility in skin-related applications, particularly through the modulation of melanin biosynthesis and protection of skin-relevant cells from oxidative damage—a primary contributor to hyperpigmentation disorders. Zingiber officinale Rosc. (ginger) and Humulus lupulus L. (hop) are medicinal plants widely recognized for their diverse pharmacological properties. To the best of our knowledge, this study provides the first report on the synergistic interactions between essential oils derived from these species (referred to as EOZ and EOH) offering novel insights into their combined bioactivity. The purpose of this study was to evaluate essential oils extracted from ginger rhizomes and hop strobiles with respect to the following: (1) chemical composition, determined by gas chromatography–mass spectrometry (GC-MS); (2) tyrosinase inhibitory activity; (3) capacity to inhibit linoleic acid peroxidation; (4) ABTS^•+ radical scavenging potential. Furthermore, the study utilizes both the combination index (CI) and dose reduction index (DRI) as quantitative parameters to evaluate the nature of interactions and the dose-sparing efficacy of essential oil (EO) combinations. GC–MS analysis identified EOZ as a zingiberene-rich chemotype, containing abundant sesquiterpene hydrocarbons such as α-zingiberene, β-bisabolene, and α-curcumene, while EOH exhibited a caryophyllene diol/cubenol-type profile, dominated by oxygenated sesquiterpenes including β-caryophyllene-9,10-diol and 1-epi-cubenol. In vitro tests demonstrated that both oils, individually and in combination, showed notable anti-tyrosinase, radical scavenging, and lipid peroxidation inhibitory effects. These results support their multifunctional bioactivity profiles with possible relevance to skin care formulations, warranting further investigation. Full article

Polyoxometalates (POMs) surrounded by organic cations and related systems composed of POMs immobilized on functionalized Merrifield resin (MR) were synthesized, characterized and tested as catalysts for the oxidation of two natural terpenes, β-myrcene and β-caryophyllene, using H₂O₂ and TBHP as green oxidants. The ionic immobilization enabled easy catalyst recovery and reuse. The results showed high conversion and selectivity, with some catalysts maintaining their efficiency for at least three runs without leaching. The catalytic performances of both homogeneous and heterogeneous systems, along with the necessary characterizations, are discussed. Full article

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