Molecules最新文献

{"title":"Correction: Kamińska et al. Behavior at Air/Water Interface and Oxidative Stability of Vegetable Oils Analyzed Through Langmuir Monolayer Technique. <i>Molecules</i> 2025, <i>30</i>, 170.","authors":"Wiktoria Kamińska, Katarzyna Rzyska-Szczupak, Anna Przybylska-Balcerek, Kinga Stuper-Szablewska, Anna Dembska, Grażyna Neunert","doi":"10.3390/molecules31172995","DOIUrl":"10.3390/molecules31172995","url":null,"abstract":"<p><p>We were notified that there were errors in the original publication [...].</p>","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"31 17","pages":""},"PeriodicalIF":5.1,"publicationDate":"2026-08-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13539578/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148888024","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Enzymatic Degradation of <i>Cryptosporidium</i> spp. Oocysts: A Combined In Silico and In Vitro Study.","authors":"Débora Castro Toledo de Souza, Ana Carolina Silva, Adriane Toledo Batista da Silva, Ruth Celestina Condori Mamani, Júlia Gomes de Carvalho Jorge, Carolina Magri Ferraz, Fábio Ribeiro Braga, Jackson Victor de Araújo, Filippe Elias de Freitas Soares","doi":"10.3390/molecules31162919","DOIUrl":"10.3390/molecules31162919","url":null,"abstract":"&lt;p&gt;&lt;p&gt;Proteases are widely studied hydrolases as \"green technologies\" for degrading structures within complex matrices, although combining different classes poses challenges for catalytic stability. To the best of our knowledge, this is the first study to specifically evaluate the biochemical control of &lt;i&gt;Cryptosporidium&lt;/i&gt; spp. oocysts using plant- and microbial-derived proteases. This study evaluated the compatibility and sanitizing potential of the microbial serine protease subtilisin Carlsberg (HPF-1SCA) and the plant cysteine protease papain (1PPP), both individually and in a 15% (&lt;i&gt;w&lt;/i&gt;/&lt;i&gt;v&lt;/i&gt;) combination, hypothesizing a synergistic effect due to their distinct catalytic specificities, as a potential biochemical approach to reduce contamination by these zoonotic protozoa of global importance, which are highly resilient to conventional disinfectants. The experimental design comprised five distinct treatment groups: a negative control (distilled water), a positive chemical control (0.04% &lt;i&gt;v&lt;/i&gt;/&lt;i&gt;v&lt;/i&gt; NaClO), treatment with isolated papain (15% &lt;i&gt;w&lt;/i&gt;/&lt;i&gt;v&lt;/i&gt;), treatment with isolated microbial HPF formulation (15% &lt;i&gt;w&lt;/i&gt;/&lt;i&gt;v&lt;/i&gt;), and a combined treatment using both enzymes simultaneously (15% &lt;i&gt;w&lt;/i&gt;/&lt;i&gt;v&lt;/i&gt; each). Concurrently, an in silico molecular docking investigation was conducted to elucidate the predicted binding scores, structural compatibility, and preferential binding mechanisms of these enzymes toward the Cryptosporidium Oocyst Wall Protein (COWP). In vitro compatibility assays revealed an immediate antagonistic effect due to mutual proteolysis, reducing overall proteolytic activity by 45% after 72 h. Despite this antagonism, the enzyme mixture (G5) and the isolated microbial protease (G4) achieved a 93% reduction in oocysts, equivalent to the conventional 0.04% NaClO treatment (G2), while papain (G3) achieved 65%. All these results represented statistically significant efficacy (&lt;i&gt;p&lt;/i&gt; &lt; 0.01) compared to the negative control (G1). In silico molecular docking studies provided a structural predictive basis for the experimental data, suggesting that subtilisin Carlsberg (HPF-1SCA) exhibits more favorable predicted binding scores and structurally compatible interfaces, compared to papain, particularly toward the major oocyst structural proteins COWP8 (estimated ΔG = -15.2 kcal·mol&lt;sup&gt;-1&lt;/sup&gt;) and COWP6 (estimated ΔG = -13.3 kcal·mol&lt;sup&gt;-1&lt;/sup&gt;). This provides robust evidence for initial target recognition and molecular anchoring, although these static models do not definitively confirm catalytically productive cleavage conformations. In summary, this in vitro proof-of-concept demonstrates that microbial proteases show promise for the biochemical destabilization of oocysts without generating toxic chlorinated byproducts. While these baseline findings align with the One Health concept, future field-scale validations assessing enzyme stability under variable environmental conditions and in vivo infectivity a","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"31 16","pages":""},"PeriodicalIF":5.1,"publicationDate":"2026-08-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13515647/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148830668","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Multi-Platform Metabolomics for Fraud Detection in Spices and Botanical Food Supplements: From Fingerprint Acquisition to Decision-Grade Evidence.","authors":"Dejan Gođevac, Stefan Ivanović, Mirjana Cvetković, Jovana Stanković Jeremić, Katarina Simić, Manuela Mandrone, Ivana Sofrenić","doi":"10.3390/molecules31162938","DOIUrl":"10.3390/molecules31162938","url":null,"abstract":"<p><p>Fraud in herbal medicines and botanical supplements-such as biological substitution, dilution with inert material, undeclared active pharmaceutical ingredients (APIs), and intentional mislabeling-represents a significant and underestimated threat to public health. Beyond regulatory problems, fraudulent botanical products also compromise the scientific integrity of bioactive compound research. If pharmacological or clinical studies are carried out on adulterated material without knowing it, the resulting data on safety and efficacy become unreliable, and any conclusions drawn from such data are questionable. This review critically evaluates multi-platform metabolomics as an analytical decision-making framework for botanical fraud detection. Rather than cataloging available methods, we focus on the complete analytical pipeline: study design and sample strategy, multi-platform fingerprint acquisition and processing (NMR, GC-MS, LC-HRMS, HPTLC), and chemometric modeling, validation, and decision support. Particular emphasis is placed on data fusion across platforms and the requirements for producing decision-grade evidence-analytical outputs robust enough to support market monitoring and regulatory action.</p>","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"31 16","pages":""},"PeriodicalIF":5.1,"publicationDate":"2026-08-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13516829/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148830893","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Comprehensive Evaluation of Peonidin: Antioxidant and Multi-Enzyme Inhibitory Abilities with Molecular Docking Insights.","authors":"Hasan Karageçili, Emrah Yerlikaya, Adem Ertürk, Kübra Aslan, Hülya Akıncıoglu, İlhami Gülçin","doi":"10.3390/molecules31162931","DOIUrl":"10.3390/molecules31162931","url":null,"abstract":"<p><p>Anthocyanins are water-soluble plant pigments. They give many plants, fruits, vegetables, and cereal kernels their red, purple, and blue colors. This research aims to reveal the biological properties of peonidin as an anthocyanin. To comprehend the antioxidant capabilities of peonidin, 2,2'-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) radical (ABTS^•+), N,N-dimethyl-p-phenylenediamine dihydrochloride radical (DMPD^•+), and 1,1-diphenyl-2-picrylhydrazyl free radical (DPPH^•) scavenging, Fe³⁺-2,4,6-tris(2-pyridyl)-s-triazine (TPTZ), and Cu²⁺ reducing assays were recorded. The IC₅₀ values for peonidin against ABTS^•+, DMPD^•+ and DPPH^• scavenging capabilities were determined to compare with standard antioxidants. ABTS^•+ radical scavenging activity of peonidin had an IC₅₀ value of 15.40 μg/mL, while the IC₅₀ values for BHA, BHT, Trolox, and α-Tocopherol were 12.82, 11.78, 12.67, and 10.83 μg/mL, respectively. DPPH radical scavenging activity of peonidin had an IC₅₀ value of 41.63 μg/mL, while the IC₅₀ values for BHA, BHT, Trolox, and α-Tocopherol were 8.45, 23.10, 6.30, and 18.73 μg/mL, respectively. Enzyme inhibition was studied to investigate the effects of peonidin. The K_i values of peonidin were 114.33, 63.02, 2.99, 9.76, and 15.14 nM toward hCA I, hCA II, AChE, BChE, and α-glycosidase enzymes, respectively. Furthermore, peonidin's interactions with target enzymes BChE, hCA I, hCA II, AChE, and α-glycosidase were investigated by molecular docking. The results suggest that antioxidant-rich peonidin is a plant-based compound with potential use in the treatment of glaucoma, Alzheimer's disease, and diabetes.</p>","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"31 16","pages":""},"PeriodicalIF":5.1,"publicationDate":"2026-08-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13515262/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148830921","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Optimization of Polyphenol Extraction Process from Yunnan-Grown Olives and Analysis of Taste Capacity Using Response Surface Methodology.","authors":"Hongyang Pan, Zhaojun Wang, Jie Chen","doi":"10.3390/molecules31162929","DOIUrl":"10.3390/molecules31162929","url":null,"abstract":"<p><p>This study aimed to optimise polyphenol extraction from Yunnan-grown olives (<i>Canarium album</i>), investigate key factors influencing taste capacity and their underlying mechanisms, and to provide technical support for industrial scale-up. Initial single-factor experiments assessed the effects of seven operational parameters on extraction yield and sensory quality. Subsequently, ethanol concentration, extraction temperature, extraction time, and pH were selected as independent variables to optimize the process and validate the model via a Central Composite Design (CCD), using total polyphenol extraction yield and taste capacity as response values. The results showed that single-factor experiments identified 60% ethanol as the optimal solvent, with enhanced extraction efficiency at a 3 h extraction time, a temperature of 50 °C, and a pH of 3. Quantitative analysis during single-factor experiments revealed strong correlations between extraction yield and taste capacity (r > 0.88). The response surface model exhibited a high goodness-of-fit; the impact of individual factors on the extraction yield followed the order of extraction temperature > extraction time > ethanol concentration > pH, whereas the order for taste capacity was extraction temperature > extraction time > pH > ethanol concentration. Under optimal process conditions, the total polyphenol extraction yield reached 216.38 ± 3.60 mg/g, with a taste capacity of 1.27 ± 0.02, showing no significant difference between the predicted and experimental values (<i>p</i> > 0.05). By synergistically regulating extraction parameters, the optimized process successfully balances efficient polyphenol dissolution with desirable taste characteristics. These findings provide a solid scientific reference for the value-added development of Yunnan-grown olive polyphenols.</p>","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"31 16","pages":""},"PeriodicalIF":5.1,"publicationDate":"2026-08-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13515300/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148830904","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Polyphenol-Rich <i>Euterpe oleracea</i> Mart. Seed Extract Improves High-Fat-Diet-Induced MASLD Through Modulation of Hepatic Mitochondrial Respiration, Biogenesis, and Redox Homeostasis.","authors":"Dafne L Beserra-Silva, Julia F Gouveia, Beatriz C de Oliveira, Mariana A Cavalheira, Natália P A Nogueira, Marcia Cristina Paes, Simone V da Silva, Ana Lucia R Nascimento, Jorge José de Carvalho, Dayane T Ognibene, Cristiane A da Costa, Graziele F de Bem, Angela C Resende","doi":"10.3390/molecules31162925","DOIUrl":"10.3390/molecules31162925","url":null,"abstract":"<p><p>Metabolic dysfunction-associated steatotic liver disease (MASLD) is the most prevalent chronic liver disease, characterized by hepatic steatosis, mitochondrial dysfunction, and oxidative stress. Food-derived polyphenols are promising ingredients that modulate cellular metabolism and redox balance. Açaí (<i>Euterpe oleracea</i> Mart.) seed, a polyphenol-rich agro-industrial by-product, has shown hepatoprotective potential; however, no previous study has comprehensively evaluated its effects on key mitochondrial functions in experimental MASLD. Therefore, this study investigated whether açaí seed extract (ASE), administered alone or in combination with physical training, could improve hepatic mitochondrial respiration, biogenesis, ultrastructural integrity, and redox homeostasis in HF diet-fed Sprague-Dawley rats. Male rats were fed a control or HF diet for 16 weeks and treated with ASE (200 mg/kg/day), aerobic training, or both during the final six weeks. ASE reduced hepatic steatosis by approximately 52% compared with the HF group, improved mitochondrial ultrastructure, increased the expression of the mitochondrial biogenesis regulators PGC-1α and NRF-1, with a 3-fold increase in PGC-1α mRNA expression, increased TFAM immunoreactivity, increased PPARα expression, reduced oxidative stress, and restored lipid-driven mitochondrial respiration. Physical training improved glycemic control and mitochondrial structure, with limited effects on mitochondrial function and redox balance. Combined treatment reduced plasma triglycerides by 41%, increased CPT1α expression, and enhanced carbohydrate-supported mitochondrial respiration. These findings provide mechanistic support for further investigation of açaí seed-derived polyphenols as candidates for nutritional strategies targeting MASLD.</p>","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"31 16","pages":""},"PeriodicalIF":5.1,"publicationDate":"2026-08-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13515159/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148830953","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Multivariate Statistical Evaluation of Ginseng Quality and Antioxidant Activity.","authors":"Menglin Yuan, Feilong Yang, Jie Li, Haidan Zou, Yang Liu, Heyuan Jiang","doi":"10.3390/molecules31162932","DOIUrl":"10.3390/molecules31162932","url":null,"abstract":"<p><p>The composition of ginsenosides is closely associated with antioxidant activity, but the effects of variety and growth year on the accumulation of individual ginsenosides and their quantitative relationships with free radical scavenging activity remain unclear. In this study, six ginsenosides (Rb1, Rb2, Rc, Rd, Re, and Rg1) in cultivated ginseng (<i>Panax ginseng</i> C. A. Mey.) and American ginseng (<i>Panax quinquefolius</i> L.) were quantified by HPLC, combined with DPPH and ABTS assays, and systematically analyzed using PCA, OPLS-DA, HCA, and PLSR. The results showed that variety exerted a much greater influence than growth year. American ginseng contained significantly higher levels of PPD-type ginsenosides (Rb1, Rd, Rc), while Rg1 was more abundant in cultivated ginseng. OPLS-DA clearly distinguished the two varieties based on ginsenoside profiles, with Rc, Rb1, and Rd identified as key marker ginsenosides (VIP > 1). Ginsenoside extracts showed scavenging abilities against both DPPH and ABTS. However, the PLSR model only successfully yielded predictive capability for DPPH. The poor prediction for ABTS suggested that ABTS scavenging may be attributed to other untested constituents in the extracts. This study provides a robust basis for variety-oriented quality control and antioxidant efficacy evaluation in ginseng products.</p>","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"31 16","pages":""},"PeriodicalIF":5.1,"publicationDate":"2026-08-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13516724/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148830920","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Compositional Diversity and Functional Interactions of Bioactive Compounds in Japanese Green Tea: Focus on Matcha, Sencha, and Gyokuro.","authors":"Keiko Unno, Yoko Kameoka, Yoriyuki Nakamura","doi":"10.3390/molecules31162934","DOIUrl":"10.3390/molecules31162934","url":null,"abstract":"<p><p>Japanese green teas, including matcha, sencha, and gyokuro, are derived from the leaves of <i>Camellia sinensis</i> and contain bioactive compounds such as catechins, caffeine, and amino acids, notably theanine. However, the amounts and ratios of these components vary significantly depending on the harvest season, cultivar, and cultivation practices. Matcha products on the market range widely in quality, from high-grade ceremonial products to lower-quality powders. In sencha, compositional profiles differ not only according to harvest timing but also according to infusion conditions such as water temperature and steeping time. Gyokuro, a premium shaded tea, is a type of green tea with a particularly high theanine content, just like authentic matcha. The compositional differences are expected to influence the physiological and psychological functions of green tea. For instance, the stress-relieving effects of theanine are modulated not only by its concentration but also by its interactions with coexisting compounds such as caffeine and catechins. Similarly, the bioavailability and physiological activities of catechins may be altered by coexisting theanine and caffeine. This narrative review focuses on compositional variability and interactions among major bioactive compounds in Japanese green tea and discusses how these factors may influence their functional properties.</p>","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"31 16","pages":""},"PeriodicalIF":5.1,"publicationDate":"2026-08-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13515311/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148830935","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Ultrasonic-Assisted Heterogeneous Fenton-like (UHEF) Pretreatment of Eucalyptus Sawdust for Enhanced Enzymatic Hydrolysis.","authors":"Han Zhang, Cuixian Peng, Xiaoguo Wang, Ping Li, Wei Tan, Shujie Wang","doi":"10.3390/molecules31162926","DOIUrl":"10.3390/molecules31162926","url":null,"abstract":"<p><p>Ultrasonic-assisted heterogeneous Fenton-like (UHEF) pretreatment is an emerging strategy that overcomes the limitations of traditional homogeneous Fenton systems while enhancing the efficiency of lignocellulosic biomass processing. In this study, we constructed a UHEF system employing iron-loaded zeolite as a heterogeneous catalyst to pretreat eucalyptus sawdust (ES). Process conditions were optimized using response surface methodology (RSM) with a central composite design (CCD), yielding a maximum reducing sugar production of 441.45 mg/g. We systematically investigated the mechanism by which UHEF pretreatment enhances the enzymatic hydrolysis of ES through compositional analysis, Fourier transform infrared (FTIR) spectroscopy, X-ray diffraction (XRD), cross-polarization magic-angle spinning carbon-13 nuclear magnetic resonance (CP/MAS ¹³C NMR), and scanning electron microscopy (SEM). Additionally, recovery and recycling experiments were conducted to evaluate the reusability of the iron-loaded zeolite. XRD, XPS, and ICP-OES were further used to verify the crystalline structure, surface Fe chemical states, and Fe loading of the catalyst, and Fe leaching was quantified for each reuse cycle. The results demonstrated that UHEF pretreatment effectively removed lignin and hemicellulose from ES, disrupted the cellulose crystalline structure, and generated numerous grooves on the substrate surface. These modifications increased the effective adsorption of cellulase and enhanced reducing sugar production to 4.32 times that of raw eucalyptus sawdust (RES). Although the recycling experiments indicated that the stability of the iron-loaded zeolite requires further improvement, the catalyst retained a certain degree of reusability over four consecutive cycles. These findings demonstrate that UHEF pretreatment is a promising approach with broad application prospects in lignocellulosic biorefinery, consistent with recent advances in advanced oxidation processes for biomass valorization.</p>","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"31 16","pages":""},"PeriodicalIF":5.1,"publicationDate":"2026-08-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13516775/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148829699","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"<i>Passiflora edulis</i> Seed Oil in an Experimental Zebrafish Model of Hyperglycemia During Embryogenesis: Evaluation of Free Glucose Modulation, Oxidative Stress, Antioxidant Gene Expression, and Developmental Safety.","authors":"Elaine L S S Mendonça, Felipe C Silva, José W A C Silva, Rafael L B Oliveira, Igor F P Silva, Henrique F Goulart, Antônio E G Santana, João I Soletti, Alane C M Oliveira, Marília O F Goulart, Jadriane A Xavier","doi":"10.3390/molecules31162927","DOIUrl":"10.3390/molecules31162927","url":null,"abstract":"<p><p><i>Passiflora edulis</i> seed oil (PESO) is a rich source of lipophilic bioactive compounds with potential to modulate oxidative stress and free glucose levels. This preclinical study aimed to evaluate the toxicological profile, antioxidant and glucose-modulating effects of PESO using hyperglycemic <i>Danio rerio</i> embryos (AB strain). PESO was chemically characterized by GC-FID/GC-MS after derivatization to fatty acid methyl esters. In animal studies, the median lethal concentration (LC₅₀) of PESO at 96 h post-exposure (hpe) was determined using concentrations ranging from 12.5 to 400 μg/mL, and sublethal concentrations corresponding to 1/10 and 1/20 of the LC₅₀ were selected for further investigations, including survival rate up to 144 hpe, continuous and pulsatile hyperglycemia assays (total free glucose was quantified in washed embryo or larval homogenates using an Accu-Chek Active^® glucometer) (Roche Diabetes Care GmbH, Mannheim, Germany), total reactive oxygen species (ROS) production, and antioxidant gene expression at 96 hpe. Data were analyzed by nonlinear regression or analysis of variance followed by appropriate post hoc tests, with significance set at <i>p</i> ≤ 0.05. Chemical characterization identified linoleic acid (C18:2) as the predominant fatty acid. PESO exhibited an LC₅₀ of 191.1 µg/mL. PESO at 9.5 and 19.1 µg/mL achieved embryonic survival above 85% and reduced total free glucose values in washed embryo or larval homogenates under pulsatile and continuous hyperglycemic conditions (<i>p</i> ≤ 0.05), although less effective than insulin (0.1 U/mL). PESO attenuated ROS production by 2% (<i>w</i>/<i>v</i>) glucose (<i>p</i> ≤ 0.05). PESO treatment was associated with distinct concentration-related expression profiles among the selected antioxidant-related genes: <i>sod1</i> and <i>cat</i> expression increased at both concentrations, <i>sod2</i>, <i>gpx1a</i>, and <i>gsr</i> increased at 19.1 µg/mL, and <i>nfe2l2a</i> increased at 9.5 µg/mL (<i>p</i> ≤ 0.05). At the selected sublethal concentrations, PESO showed low embryotoxicity and was associated with reduced total free glucose values, partial attenuation of ROS accumulation, and changes in selected antioxidant-related transcripts in embryos exposed to hyperglycemic conditions.</p>","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"31 16","pages":""},"PeriodicalIF":5.1,"publicationDate":"2026-08-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13515376/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148830819","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}