Dietary total antioxidant capacity in relation to disease severity and risk of mortality in cirrhosis; results from a cohort study.

Liver Cirrhosis, defined as the final stage of chronic liver disease, may become more prevalent in the lower level of body defense against oxidation and inflammation. Therefore, we assessed the association of dietary total antioxidant capacity (DTAC) with the severity and mortality of cirrhosis in a cohort study. 120 newly diagnosed cirrhosis patients from Tehran, Iran, participated in this study. The patients' habitual diet was assessed using a 168-item validated food frequency questionnaire. Both ferric-reducing antioxidant potential (FRAP) and oxygen radical scavenging capacity (ORAC) methods were computed to achieve DTAC scores. The association between DTAC with disease severity and mortality was estimated by multivariate linear regression and cox proportional hazards regression models. Dietary total antioxidant capacity-ORAC had a significant inverse association with disease severity in both crude and adjusted models (P for trend: <0.001 and 0.016 respectively). The risk of mortality in the first and second tertiles of ORAC was 5.56 (95 % CI: 2.25-13.75; P = 0.002) and 3.20 (95 % CI: 1.25-8.19; P = 0.015) higher than those in the third category, respectively. In conclusion, a higher antioxidant capacity of diet is associated with less disease severity and mortality risk in cirrhosis.

Chemical profile and biological activities of Lysiphyllum binatum (Blanco) de Wit.

Lysiphyllum binatum (Blanco) de Wit in the Fabaceae family, despite its traditional medicinal uses, has not been the subject of prior scientific inquiry into its chemical and biological profile. The dichloromethane and MeOH extracts of its roots exhibited notably similar antioxidant activity, while the dichloromethane extract of the vine stems showed aromatase inhibition. This study aimed to identify the bioactive components responsible for these activities. Chemical investigation of the roots led to the isolation of six new metabolites, named lysiphans A-F (1-6), along with eight known compounds (7-14). The vine stem yielded lysiphan C (3) and compound 7, as well as five known isolates (15-19). The structures of these metabolites were determined through NMR spectral analysis, HRESIMS, quantum chemical calculations of NMR and ECD spectra, and Mosher's modifications to establish their absolute configurations. The biogenetic relationships between the new compounds were proposed. Several of the isolates were evaluated for their antioxidant, anti-aromatase, and cytotoxic properties. Lysiphan B (2) exhibited significant antioxidant activity, with an IC50 value of 28.8 ± 0.4 µM in the diphenyl picrylhydrazyl radical (DPPH) assay, 3.5 ± 0.2 µM in the xanthine/xanthine oxidase (XXO) assay, and 1.5 ± 0.0 ORAC units in oxygen radical absorbance capacity (ORAC) assay. Additionally, compounds 12, 13, and 16 exhibited very strong aromatase inhibitory activity with IC50 values of 0.3 ± 0.2, 4.7 ± 0.1, and 0.9 ± 0.2 µM, respectively. Compound 16 also demonstrated strong ORAC activity of 1.9 ± 0.1 ORAC units.

Identification and quantification of the antioxidants in Ginkgo biloba leaf.

The antioxidant activity of Ginkgo biloba leaf (GBL) extract is closely related to its efficacy against various diseases; however, the antioxidant activities of the specific constituents of GBL remain unclear. In this study, 194 GBL constituents were identified using ultra-performance liquid chromatography-quadrupole-time-of-flight mass spectrometry, including 97 flavonoids, 37 terpenoids, 29 lignans, 19 carboxylic acids, 5 alkylphenolic acids, 5 alkylphenols, and 2 other compounds. The cleavage rules of the main constituents of GBL were dissected in detail. The 36 GBL constituents with high antioxidant activity were subsequently discovered using the oxygen radical absorbance capacity assay, including 30 flavonoids and six carboxylic acids. Finally, an HPLC analysis method was established to determine the content of the nine major antioxidants in the three batches of GBL. Among them, kaempferol 3-O-ß-D-(6″-p-coumaroyl) glucopyranosyl-(1-2)-α-L-rhamnopyranoside, kaempferol-3-O-rutinoside, and rutin exhibited high antioxidant activity and were found in significant amounts in GBL, with concentrations greater than 0.7 mg/g. These results provide an important reference for the development of pharmaceuticals and health products containing GBL.

Effect of Pulsed Electric Field Pretreatment on the Concentration of Lipophilic and Hydrophilic Compounds in Cold-Pressed Grape Seed Oil Produced from Wine Waste.

Pretreatment of grape pomace seeds with a pulsed electric field (PEF) was applied to improve the extraction yield of cold-pressed grape seed oil. The effects of different PEF conditions, electric field intensities (12.5, 14.0 and 15.6 kV/cm), and durations (15 and 30 min) on the oil chemical composition were also studied. All PEF pretreatments significantly increased the oil yield, flow rate and concentration of total sterols (p < 0.05). In addition, similar trends were observed for total tocochromanols and phenolic compounds, except for PEF pretreatment under the mildest conditions (12.5 kV/cm, 15 min) (p < 0.05). Notably, the application of 15.6 kV/cm for 30 min resulted in the highest relative increase in oil yield and flow rate (29.6% and 56.5%, respectively) and in the concentrations of total tocochromanols, nonflavonoids, and flavonoids (22.1%, 60.2% and 81.5%, respectively). In addition, the highest relative increase in the concentration of total sterols (25.4%) was achieved by applying 12.5 kV/cm for 30 min. The fatty acid composition of the grape seed oil remained largely unaffected by the PEF pretreatments. These results show that PEF pretreatment effectively improves both the yield and the bioactive properties of cold-pressed grape seed oil.

Bioactive Compounds and Antioxidant Capacity of Pulp, Peel and Seeds from Jeriva (Syagrus romanzoffiana).

Jeriva (Syagrus romanzoffiana) is a fruit from palm trees of the Arecaceae family, widely distributed in tropical and subtropical areas of Latin America. It has low production costs and high productivity throughout the year; however, its consumption is very low, and the production goes almost entirely to feed animals or to waste. To improve its consumption, a good characterization of the whole fruit is necessary. The objective of this work was to evaluate the jeriva pulp, peel and seeds according to carotenoids, phenolic compounds, vitamin C, tocopherols and antioxidant potential using HPLC, microplate readers and spectrophotometric methods. Every part of the fruit exhibited antioxidant capacity in the ORAC and TEAC tests, which can be attributed to its high concentration of polyphenols. Carotenoids were more present in the pulp and peel and almost absent in the seeds. Vitamin C ranged from 12 ± 1 for the seeds up to 92 ± 3 mg/100 g for the pulp. The total phenolic content was quantified between 473 ± 39 for the seeds and 1089 ± 32 mg of gallic acid equivalents (GAEs)/100 g for the pulp. These results demonstrate that all parts of this fruit have important bioactive nutrients, with promising perspectives for further scientific approaches and for composing formulations of food products to enhance functional properties.

Identification of Phenolic Compounds Present in Three Speedwell (Veronica L.) Species and Their Antioxidant Potential.

Extracts from Veronica species (speedwells) are known for the various biological activities they show, such as cytotoxic, antimicrobial, anti-inflammatory, and antioxidant activities. Also, the plants from this genus are known as medicinal plants used in traditional medicine worldwide. Phenolic compounds are specialized metabolites that contribute to biological activity the most. Therefore, the aim of this research is identification and quantification of phenolic compounds present in three Veronica species (Veronica anagallis-aquatica L., Veronica persica Poir., and Veronica polita Fr.) using the liquid chromatography-mass spectrometry (LC-MS/MS) technique. All extracts were tested for antioxidant activity with two methods: DPPH (2,2-diphenyl-1-picrylhydrazyl) and ORAC (oxygen radical absorbance capacity). Also, standards for compounds that were detected in the highest amount in all species were also tested for antioxidant activity. Three different solvents (pure methanol, 80% ethanol, and water) were used for the extraction of phenolic components and their comparison in order to test their antioxidant activity as a final goal. The main compounds present in the tested Veronica extracts were: p-hydroxybenzoic acid, vanillic acid, caffeic acid, gentisic acid, and apigenin. V. anagallis-aquatica contained the highest amount of phenolic components in comparison with the two other tested species, V. persica and V. polita. Caffeic acid showed the highest antioxidant activity in both studied methods with an IC50 value for DPPH activity of 1.99 µg/mL. For the plant extracts, in general, methanolic/ethanolic extracts showed higher activity than water extracts in both methods which was expected, as organic solutions extract more phenolic compounds. This research points to the potential application of extracts of different Veronica species for antioxidant activity.

Use of Botanical Ingredients: Nice Opportunities to Avoid Premature Oxidation of NABLABs by Increasing Their ORAC Values Strongly Impacted by Dealcoholization or Pasteurization.

Even when fresh, non-alcoholic, and low-alcoholic beers (NABLABs) exhibit significant staling defects due to premature oxidation. In this study, the antioxidant power of eleven fresh commercial NABLABs was assessed by means of three different assays: the oxygen radical absorbance capacity (ORAC), the linoleic acid-induced oxidation (TINH), and the indicator time test (ITT). Only the first two assays, both involving radicalar degradations initiated by AAPH, were found to correlate with each other. NABLABs displayed lower ORAC values than conventional beers (on average, 6127 µmol eq. Trolox/L), except for three samples made with special-colored malts or dry-hopped. Dealcoholization was the step with the greatest impact on the ORAC value (up to a 95% loss) and on flavan-3-ols, sotolon, and polyfunctional thiols, while pasteurization strongly affected color, TBA, and Strecker aldehydes. ORAC assays applied to hop, alternative cereals, and various botanical ingredients indicated that mashing with red sorghum, dry hopping/spicing, and wood maturation could bring the antioxidant power of a NABLAB close to those of conventional beers. With an ORAC value not reached by any other tested botanical ingredient (5234 µmol eq. Trolox/g), African Vernonia amygdalina leaves (traditionally used for Rwandan Ikigage beers) emerged here as the best candidate.

Exploring the antioxidant potential of endophytic fungi: a review on methods for extraction and quantification of total antioxidant capacity (TAC).

Endophytic fungi have emerged as a significant source of natural products with remarkable bioactivities. Recent research has identified numerous antioxidant molecules among the secondary metabolites of endophytic fungi. These organisms, whether unicellular or micro-multicellular, offer the potential for genetic manipulation to enhance the production of these valuable antioxidant compounds, which hold promise for promoting health, vitality, and various biotechnological applications. In this study, we provide a critical review of methods for extracting, purifying, characterizing, and estimating the total antioxidant capacity (TAC) of endophytic fungi metabolites. While many endophytes produce metabolites similar to those found in plants with established symbiotic associations, we also highlight the existence of novel metabolites with potential scientific interest. Additionally, we discuss how advancements in nanotechnology have opened new avenues for exploring nanoformulations of endophytic metabolites in future studies, offering opportunities for diverse biological and industrial applications.

Protein hydrolysates prepared by Alcalase using ultrasound and microwave pretreated almond meal and their characterization.

The study aimed to optimize ultrasonic (US: 40 kHz/200 W for 10, 20, 30, 40, and 50 min), and microwave (MW: 160 W for 45, 90, 125, 180, and 225 s) pretreatment conditions on protein extraction yield and degree of protein hydrolysis (DH) from almond de-oiled meal, an industrial by-product. First order model was used to describe the kinetics of almond protein hydrolysates obtained with Alcalase. The highest DH, 10.95% was recorded for the US-50 min and 8.87% for MW-45 s; while it was 5.76% for the untreated/control sample. At these optimized pretreatment conditions, a 1.16- and 1.18-fold increment in protein recovery was observed for the US and MW pretreatments, respectively in comparison to the conventional alkaline extraction. The molecular weight distribution recorded for pretreated samples disclosed a significant reduction in the band thickness in comparison with control. Both the pretreatments resulted in a significant increase (P < 0.05) in the antioxidant activity, and TCA solubility index when compared with the control. Results evinced that US and/or MW pretreatments before enzymatic hydrolysis can be a promising approach for the valorization of almond meal for its subsequent use as an ingredient for functional foods/nutraceuticals which otherwise fetches low value as an animal feed.

Evidence of the Relationship between the Oxygen Radical Absorbance Capacity (ORAC) and the Potential Exposure of White Wines to Atypical Aging (ATA).

Atypical aging (ATA) is a well-known wine defect that leads to unacceptable off-odors of wet mop, soap, waxy, furniture varnish, and dish rag. The main compound that is responsible for these undesired scents, 2-aminoacetophenone (AAP), results from the oxidative degradation of 3-indole acetic acid. This study aimed to investigate different technological factors for a possible effect on the oxygen radical absorption capacity (ORAC) and ATA development in white wine. Oxygenation during fermentation did not result in a significant effect on the development of ORAC or ATA development. Instead, the addition of ascorbic acid after vinification led to increased ORAC and decreased AAP formation. The first evidence of a tendency toward a correlation between ORAC and potential ATA development was found, with r = 0.365. This study showed the potential of the ORAC assay for an early assessment of the possible formation of ATA during wine storage.

Influence of Nutrient Deprivation on the Antioxidant Capacity and Chemical Profile of Two Diatoms from Genus Chaetoceros.

The limited availability of phosphate, nitrogen and silicon in the growth media affects the growth, cellular processes, and metabolism of diatoms. Silicon deficiency primarily affects diatom morphology, while phosphate deficiency reduces the production of nucleic acids and phospholipids. Differences in pigment and protein composition are mainly due to nitrogen deficiency. In this study, Chaetoceros socialis and Chaetoceros costatus were cultured under phosphate, nitrogen, and silicon deprivation conditions. The diatom biomass was collected during the stationary growth phase and extracted with 70% ethanol under ultrasonication. The chemical profiles of the extracts were analyzed by high-performance liquid chromatography with high-resolution mass spectrometry with electrospray ionisation (UHPLC-ESI-HRMS), while the antioxidant capacity was determined by 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical scavenging and oxygen radical absorbance capacity (ORAC) assays. Pigments, fatty acids, sterols, and derivatives were detected in both species. The total phenolic content in the extracts ranged from 46.25 ± 1.08 to 89.38 ± 6.21 mg of gallic acid equivalent (GAE)/L and from 29.58 ± 1.08 to 54.17 ± 1.18 mg GAE/L. for C. costatus and C. socialis, respectively. Antioxidant activity was higher in C. costatus extracts, especially those obtained from nitrogen-deprived media. The results of this study contribute to the existing knowledge and the ongoing efforts to overcome application and commercialization barriers of microalgae for wide-ranging potential in different industries.

Design and Synthesis of Multi-Functional Ligands through Hantzsch Reaction: Targeting Ca2+ Channels, Activating Nrf2 and Possessing Cathepsin S Inhibitory, and Antioxidant Properties.

This work relates to the design and synthesis of a series of novel multi-target directed ligands (MTDLs), i.e., compounds 4a-l, via a convenient one-pot three-component Hantzsch reaction. This approach targeted calcium channel antagonism, antioxidant capacity, cathepsin S inhibition, and interference with Nrf2 transcriptional activation. Of these MTDLs, 4i emerged as a promising compound, demonstrating robust antioxidant activity, the ability to activate Nrf2-ARE pathways, as well as calcium channel blockade and cathepsin S inhibition. Dihydropyridine 4i represents the first example of an MTDL that combines these biological activities.

A Green Bioactive By-Product Almond Skin Functional Extract for Developing Nutraceutical Formulations with Potential Antimetabolic Activity.

(1) Background: almond peels are rich in polyphenols such as catechin and epicatechin, which are important anti-free-radical agents, anti-inflammatory compounds, and capable of breaking down cholesterol plaques. This work aims to evaluate the biological and technological activity of a "green" dry aqueous extract from Sicilian almond peels, a waste product of the food industry, and to develop healthy nutraceuticals with natural ingredients. Eudraguard® Natural is a natural coating polymer chosen to develop atomized formulations that improve the technological properties of the extract. (2) Methods: the antioxidant and free radical scavenger activity of the extract was rated using different methods (DPPH assay, ABTS, ORAC, NO). The metalloproteinases of the extracts (MMP-2 and MMP-9), the enhanced inhibition of the final glycation products, and the effects of the compounds on cell viability were also tested. All pure materials and formulations were characterized using UV, HPLC, FTIR, DSC, and SEM methods. (3) Results: almond peel extract showed appreciable antioxidant and free radical activity with a stronger NO inhibition effect, strong activity on MMP-2, and good antiglycative effects. In light of this, a food supplement with added health value was formulated. Eudraguard® Natural acted as a swelling substrate by improving extract solubility and dissolution/release (4) Conclusions: almond peel extract has significant antioxidant activity and MMP/AGE inhibition effects, resulting in an optimal candidate to formulate safe microsystems with potential antimetabolic activity. Eudraguard® Natural is capable of obtaining spray-dried microsystems with an improvement in the extract's biological and technological characteristics. It also protects the dry extract from degradation and oxidation, prolonging the shelf life of the final product.

Pterodon emarginatus Seed Preparations: Antiradical Activity, Chemical Characterization, and In Silico ADMET Parameters of ß-caryophyllene and Farnesol.

The study of medicinal plants and their active compounds is relevant to maintaining knowledge of traditional medicine and to the development of new drugs of natural origin with lower environmental impact. From the seeds of the Brazilian plant Pterodon emarginatus, six different preparations were obtained: essential oil (EO), ethanol extract (EthE) prepared using the traditional method, and four extracts using solvents at different polarities, such as n-hexane, chloroform, ethyl acetate, and methanol (HexE, ChlE, EtAE, and MetE). Chemical characterization was carried out with gas chromatography, allowing the identification of several terpenoids as characteristic components. The two sesquiterpenes ß-caryophyllene and farnesol were identified in all preparations of Pterodon emarginatus, and their amounts were also evaluated. Furthermore, the total flavonoid and phenolic contents of the extracts were assessed. Successively, the antiradical activity with DPPH and ORAC assays and the influence on cell proliferation by the MTT test on the human colorectal adenocarcinoma (HT-29) cell line of the preparations and the two compounds were evaluated. Lastly, an in silico study of adsorption, distribution, metabolism, excretion, and toxicity (ADMET) showed that ß-caryophyllene and farnesol could be suitable candidates for development as drugs. The set of data obtained highlights the potential medicinal use of Pterodon emarginatus seeds and supports further studies of both plant preparations and isolated compounds, ß-caryophyllene and farnesol, for their potential use in disease with free radical involvement as age-related chronic disorders.

Antioxidant Activity of Different Hop (Humulus lupulus L.) Genotypes.

The antioxidant activity (AA) of hop extracts obtained from different hop genotypes (n = 14) was studied. For comparison, the purified ß-acids-rich fraction and α-acids-with-ß-acids-rich fraction were also used to test the antioxidative potential. The AA of purified hydroacetonic hop extracts was investigated using the Ferric Reducing Ability of Plasma (FRAP), Oxygen Radical Absorption Capacity (ORAC) and Intracellular Antioxidant (IA) methods. The FRAP values in different hop genotypes ranged between 63.5 and 101.6 µmol Trolox equivalent (TE)/g dry weight (DW), the ORAC values ranged between 1069 and 1910 µmol TE/g DW and IA potential values ranged between 52.7 and 118.0 mmol TE/g DW. Significant differences in AA between hop genotypes were observed with all three methods. AAs were determined using three different methods, which did not highly correlate with each other. We also did not find significant correlations between AA and different chemical components, which applies both to AA determined using individual methods as well as the total AA. Based on this fact, we assume that the synergistic or antagonistic effects between hop compounds have a more pronounced effect on AA than the presence and quantity of individual hop compounds.

The Effect of Holder Pasteurization and Different Variants on Breast Milk Antioxidants.

BACKGROUND: After birth, breast milk (BM) is a known essential source of antioxidants for infants. We analyzed the non-enzymatic total antioxidant capacity (TAC), oxygen radical absorbance capacity (ORAC), and glutathione, calcium, transferrin, and total protein levels of human breast milk before and after Holder pasteurization (HoP). METHODS: The collected donor BM samples were pasteurized with HoP. RESULTS: HoP decreased TAC (-12.6%), ORAC (-12.1%), transferrin (-98.3%), and total protein (-21.4%) levels; HoP did not influence the glutathione concentration, and it increased the total calcium (+25.5%) concentration. Mothers who gave birth via Cesarean section had significantly lower TAC in their BM. TAC and glutathione levels were elevated in the BM of mothers over the age of 30. BM produced in the summer had higher glutathione and calcium levels compared to BM produced in the winter. The glutathione concentration in term milk samples was significantly higher in the first two months of lactation compared to the period between the third and sixth months. The transferrin level of BM for female infants was significantly higher than the BM for boys, and mothers with a BMI above 30 had increased transferrin in their samples. CONCLUSIONS: Antioxidant levels in human milk are influenced by numerous factors. Environmental and maternal factors, the postpartum age at breast milk collection, and Holder pasteurization of the milk influence the antioxidant intake of the infant.

Enhanced Two-Step Extraction from Biomass of Two Cymbopogon Species Cultivated in Santander, Colombia.

The insertion of circular economy principles into the essential oil (EO) production chain aims to reduce waste generation and make integral use of harvested plant material. Higher profits from integral use with reduced waste generation contribute to the eventual use of the EO value chain as an alternative to illicit crops in Colombia (mostly coca). In this study, Java-type citronella (Cymbopogon winterianus) and palmarosa (C. martinii) plant materials were used in two consecutive processes to obtain EOs and extracts. The residual biomass after EO distillation was subjected to ultrasound-assisted hydroethanolic extraction to afford extracts that contained bioactive compounds. Citronella and palmarosa were distilled with typical EO yields (1.0 ± 0.1% for citronella; 0.41 ± 0.06% for palmarosa; n = 5) either through hydrodistillation assisted by microwave radiation or through steam distillation, and their composition (determined via GC/FID/MS analysis) and physicochemical parameters fell within their ISO standard specifications. The concentration of citronellal, the major compound of citronella oil, was 500 ± 152 mg/g. Geraniol, the main component of palmarosa oil, was found at 900 ± 55 mg/g. The citronella and palmarosa hydroalcoholic extracts (4-11% yield) were analyzed with UHPLC-ESI-Orbitrap-MS, which permitted the identification of 30 compounds, mainly C-glycosylated flavones and hydroxycinnamic acids. Both extracts had similar antioxidant activity values, evaluated using the ABTS+● and ORAC assays (110 ± 44 µmol Trolox®/g extract and 1300 ± 141 µmol Trolox®/g extract, respectively).

The Impact of In Vitro Digestion on the Polyphenol Content and Antioxidant Activity of Spanish Ciders.

Various factors can influence the polyphenol content and the antioxidant capacity of ciders, such as the apple variety, its degree of maturity, apple farming and storage conditions, and the cider-fermentation method, all of which explains why ciders of different origin present different values. In addition, digestive processes could have some effects on the properties of cider. Hence, the objective of this study is to characterize Spanish ciders in terms of their polyphenol content and antioxidant capacity and to ascertain whether those same properties differ in digested ciders. In total, 19 ciders were studied from three different zones within Spain: Asturias (A) (10), the Basque Country (BC) (6), and Castile-and-Leon (CL) (3). A range of assays was used to determine the total polyphenol content and the antioxidant capacity of the ciders. In addition, a digestive process was simulated in vitro, assessing whether the use of amylase might influence the recovery of bioactive compounds after digestion. The Basque Country ciders presented higher total polyphenol contents (830 ± 179 GAE/L) and higher antioxidant capacities (DPPH: 5.4 ± 1.6 mmol TE/L; ABTS: 6.5 ± 2.0 mmol TE/L; FRAP: 6.9 ± 1.6 mmol TE/L) than the other ciders that were studied. The in vitro digestion process, regardless of the use of amylase, implied a loss of phenolic compounds (598 ± 239 mg GAE/L undigested samples; 466 ± 146 mg GAE/L digested without amylase samples; 420 ± 115 mg GAE/L digested with amylase samples), although the variation in antioxidant activity depended on the assay chosen for its determination.

Antioxidant Capacity and NF-kB-Mediated Anti-Inflammatory Activity of Six Red Uruguayan Grape Pomaces.

Grape pomaces have a wide and diverse antioxidant phenolics composition. Six Uruguayan red grape pomaces were evaluated in their phenolics composition, antioxidant capacity, and anti-inflammatory properties. Not only radical scavenging methods as DPPH· and ABTS·+ were employed but also ORAC and FRAP analyses were applied to assess the antioxidant potency of the extracts. The antioxidant reactivity of all extracts against hydroxyl radicals was assessed with ESR. The phenol profile of the most bioactive extract was analyzed by HPLC-MS, and a set of 57 structures were determined. To investigate the potential anti-inflammatory activity of the extracts, Nuclear Factor kappa-B (NF-κB) modulation was evaluated in the human colon cancer reporter cell line (HT-29-NF-κB-hrGFP). Our results suggest that Tannat grapes pomaces have higher phenolic content and antioxidant capacity compared to Cabernet Franc. These extracts inhibited TNF-alpha mediated NF-κB activation and IL-8 production when added to reporter cells. A molecular docking study was carried out to rationalize the experimental results allowing us to propose the proactive interaction between the NF-κB, the grape extracts phenols, and their putative anti-inflammatory bioactivity. The present findings show that red grape pomace constitutes a sustainable source of phenolic compounds, which may be valuable for pharmaceutical, cosmetic, and food industry applications.

Luteolin and Vernodalol as Bioactive Compounds of Leaf and Root Vernonia amygdalina Extracts: Effects on α-Glucosidase, Glycation, ROS, Cell Viability, and In Silico ADMET Parameters.

The aqueous decoctions of Vernonia amygdalina (VA) leaves and roots are widely used in traditional African medicine as an antidiabetic remedy. The amount of luteolin and vernodalol in leaf and root extracts was detected, and their role was studied regarding α-glucosidase activity, bovine serum albumin glycation (BSA), reactive oxygen species (ROS) formation, and cell viability, together with in silico absorption, distribution, metabolism, excretion, and toxicity (ADMET) properties. Vernodalol did not affect α-glucosidase activity, whereas luteolin did. Furthermore, luteolin inhibited the formation of advanced glycation end products (AGEs) in a concentration-dependent manner, whereas vernodalol did not reduce it. Additionally, luteolin exhibited high antiradical activity, while vernodalol demonstrated a lower scavenger effect, although similar to that of ascorbic acid. Both luteolin and vernodalol inhibited HT-29 cell viability, showing a half-maximum inhibitory concentration (IC50) of 22.2 µM (-Log IC50 = 4.65 ± 0.05) and 5.7 µM (-Log IC50 = 5.24 ± 0.16), respectively. Finally, an in silico ADMET study showed that both compounds are suitable candidates as drugs, with appropriate pharmacokinetics. This research underlines for the first time the greater presence of vernodalol in VA roots compared to leaves, while luteolin is prevalent in the latter, suggesting that the former could be used as a natural source of vernodalol. Consequently, root extracts could be proposed for vernodalol-dependent antiproliferative activity, while leaf extracts could be suggested for luteolin-dependent effects, such as antioxidant and antidiabetic effects.