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Over the last decade, Psidium guajava L. (guava) leaves have demonstrated their in vitro and in vivo effect against Diabetes mellitus (DM). However, there is a lack of literature concerning the effect of the individual phenolic compounds present in the leaves in DM disease. For this reason, the aim of the present work was the in silico evaluation of each phenolic compound. The identification of an 80% ethanol extract of guava leaves revealed the presence of 73 compounds. The in silico study carried out with the DIA-DB web server revealed that aldose reductase was the target protein with heterogeneous affinity. Naringenin exhibited the highest number of interactions with target proteins, and compounds like catechin, quercetin, naringenin and morin displayed similarities with known antidiabetic drugs. In conclusion, the computational workflow showed that guava leaves contain several compounds that can play a therapeutic role in the treatment of DM.

Strokes are the second most common cause of death worldwide and a leading cause of disability. Regular consumption of polyphenols has been shown to reduce the risk of suffering a cardiovascular event. For this reason, we have investigated the protective effect of

The aim of the present study is to investigate the phytochemical composition of tiger nut (TN) (

In the present study, the extracts of

Background: Prior evidence suggests that capsinoids ingestion may increase resting energy expenditure (EE) and fat oxidation (FATox), yet whether they can modulate those parameters during exercise conditions remains poorly understood. We hypothesized that dihydrocapsiate (DHC) ingestion would increase EE and specifically FATox during an acute bout of aerobic exercise at FATmax intensity (the intensity that elicits maximal fat oxidation during exercise [MFO]) in men with overweight/ obesity. Since FATmax and MFO during aerobic exercise appear to be indicators of metabolic flexibility, whether DHC has an impact on FATox in this type of population is of clinical interest. Methods: A total of 24 sedentary men (age = 40.2 ± 9.2 years-old; body mass index = 31.6 ± 4.5 kg/m2 [n = 11 overweight, n = 13 obese]) participated in this randomized, triple-blinded, placebocontrolled, crossover trial (registered under ClinicalTrials.gov Identifier no. NCT05156697). On the first day, participants underwent a submaximal exercise test on a cycle ergometer to determine their MFO and FATmax intensity during exercise. After 72 hours had elapsed, the participants returned on 2 further days (≥ 72 hours apart) and performed a 60 min steady-state exercise bout (i.e. cycling at their FATmax, constant intensity) after ingesting either 12 mg of DHC or placebo; these conditions were randomized. Respiratory gas exchange was monitored by indirect calorimetry. Serum marker concentrations (i.e. glucose, triglycerides, non-esterified fatty acids (NEFAs), skin temperature, thermal perception, heart rate, and perceived fatigue) were assessed. Results: There were no significant differences (P > 0.05) between DHC and placebo conditions in the EE and FATox during exercise. Similarly, no significant changes were observed in glucose, triglycerides, or NEFAs serum levels, neither in the skin temperature nor thermal perception across conditions. Heart rate and perceived fatigue did not differ between conditions. Conclusions: DHC supplementation does not affect energy metabolism during exercise in men with overweight/obesity., Spanish Junta de Andalucia via Consejeria de Conocimiento, Investigacion y Universidades, Proyectos I+D+i del Programa Operativo del Fondo Europeo de Desarrollo Regional (FEDER 2018) B.CTS.377.UGR18, Spanish Government PTA 12264-I FPU16/02828 FPU16/05159

Plants of the genus Brassica occupy the top place among vegetables in the world. This genus, which contains a group of six related species of a global economic significance, three of which are diploid: Brassica nigra (L.) K. Koch, Brassica oleracea L., and Brassica rapa L. and three are amphidiploid species: Brassica carinata A. Braun, Brassica juncea (L.) Czern., and Brassica napus L. These varieties are divided into oily, fodder, spice, and vegetable based on their morphological structure, chemical composition, and usefulness of plant organs. The present review provides information about habitat, phytochemical composition, and the bioactive potential of Brassica plants, mainly antioxidant, antimicrobial, anticancer activities, and clinical studies in human. Brassica vegetables are of great economic importance around the world. At present, Brassica plants are grown together with cereals and form the basis of global food supplies. They are distinguished by high nutritional properties from other vegetable plants, such as low fat and protein content and high value of vitamins, fibers along with minerals. In addition, they possess several phenolic compounds and have a unique type of compounds namely glucosinolates that differentiate these crops from other vegetables. These compounds are also responsible for numerous biological activities to the genus Brassica as described in this review.

The aim of the current study was to assess the potential cardiopreventive effect of the methanolic extract of S. molle L. (MESM) on isoproterenol-induced infarction in rats. The biomolecules content was evaluated using HPLC-DAD-ESI-QTOF-MS/MS analysis. On the 29

Vicia faba L. is a legume from the family Fabaceae. Ancient Egyptians consumed fava beans thousands of years ago and they are still one of the most popular foods in Egypt. The current study examined the anti-Parkinson effect of 80% methanolic extracts of seeds or sprouts of the fava ‘Sakha 3 ‘cultivar which has been selected based on the total phenol content among three cultivars tested. In addition, the extracts were characterized by reversed-phase high-performance liquid chromatography coupled with diode array detection and quadrupole-time-of-flight-mass spectrometry (RP-HPLC–DAD-QTOF-MS). Three doses (200, 400, and 600 mg/kg) of 80% methanol extracts of seeds or sprouts of the Sakha 3 cultivar were evaluated in rotenone–Parkinsonian mice from behavioral, biochemical, and histopathological aspects. The extract of fava sprouts (600 mg/kg dose) showed the most beneficial effect. It improved motor activity, enhanced striatal dopamine level, and decreased the striatal malondialdehyde, as well as the expression of the inflammatory markers, compared with the rotenone control group and groups receiving lower therapeutic doses of the extracts or l-Dopa. In addition, these findings were supported by a histopathological investigation which indicated that mice treated with the 600-mg/kg dose of the sprout extract showed a low number of degenerated neurons. The application of RP-HPLC–DAD-QTOF-MS and mass/mass spectroscopy enabled the metabolic profiling of the sprouts and seeds of the ‘Sakha 3′ cultivar. It is obvious that germination increased the amounts of phenolic acids, saponins, and aromatic amino acids, together with a dramatic increase in flavonoids. In conclusion, the 80% methanolic extract of sprouts of the fava “Sakha 3” cultivar may be a promising candidate for treating Parkinsonism if appropriate safety data are available.

The DIA-DB is a web server for the prediction of diabetes drugs that uses two different and complementary approaches: (a) comparison by shape similarity against a curated database of approved antidiabetic drugs and experimental small molecules and (b) inverse virtual screening of the input molecules chosen by the users against a set of therapeutic protein targets identified as key elements in diabetes. As a proof of concept DIA-DB was successfully applied in an integral workflow for the identification of the antidiabetic chemical profile in a complex crude plant extract. To this end, we conducted the extraction and LC-MS based chemical profile analysis of Sclerocarya birrea and subsequently utilized this data as input for our server. The server is open to all users, registration is not necessary, and a detailed report with the results of the prediction is sent to the user by email once calculations are completed. This is a novel public domain database and web server specific for diabetes drugs and can be accessed online through http://bio-hpc.eu/software/dia-db/.

This chapter discusses the current trends for the optimization of food waste recovery strategies in the food industry and how this process affects the sustainability of the food systems. The so-called “Universal Recovery Strategy” for the commercial recapture of valuable compounds from food wastes is briefly described, prior to the assessment of commercially available products and the implementation of this strategy. High added-value compounds like polyphenols, carotenoids, dietary fibers, and other bioactive compounds are nowadays recovered and reutilized as additives and supplements in food products due to their technological and nutritional benefits. The latest innovations are affected by several implementation problems, such as the management of intellectual properties. These important assets are described in detail with a final purpose of investigating stifling of innovation in the field. Finally, solutions are provided in order to help progress and reveal relevant innovations with an ultimate goal to fulfill market and consumers' needs.

Ephedra (Ephedraceae) is used in medicine for various purposes as having, antioxidant, anticarcinogen, antibacterial, anti-inflammatory hepatoprotective, anti-obesity, antiviral and diuretic activities. In this study the aim was to investigate chemical constituents of Ephedra alata and understand the possible effects of those constituents in antioxidant activity and alzheimer's disease essay. For this purpose, natural compounds from E.alata were characterized by LC–DAD–ESI-MS/MS using negative and positive ionization modes, while the bioactivity was assessed by acetylcholinesterase (AChE) inhibition study and determining of antioxidant activity; DPPH radical scavenging and β-carotene bleaching assays were used to assess the antioxidant potential. The proposed method of spectrometry provided tentative identification of 27 compounds including alkaloids and phenolic compounds as flavonoids. The methanolic extract showed high contents of total phenolic and exhibited an important antioxidant potential and demonstrated a potent inhibitory effect against acetylcholinesterase (IC50: 11,25 ± 0,25 µg/mL). The results showed that the plant possesses a therapeutic effect.

Paliurus spina-christi Mill., a member of the Rhamnaceae family, is a traditionally used medicinal plant in the management of a panoply of human ailments. The current research focused on its phytochemical profile and biological properties evaluated by its antioxidant and enzyme inhibitory properties. The methanol extract was found to be the most effective antioxidant as evidenced by its DPPH and ABTS scavenging activities, cupric and ferric reducing power (CUPRAC and FRAP), and high activity in phosphomolybdenum (PBD) assay, and also displayed the highest anti-tyrosinase activity. The n-hexane extract was the most effective AChE inhibitor (8.89 +/- 0.08 mg GALAE/g) followed by the methanol (8.64 +/- 0.01 mg GALAE/g) while the latter showed the highest BChE inhibition (2.50 +/- 0.05 mg GALAE/g). Among the different solvent extracts of the stem, the methanolic extract showed highest antioxidant activity in the following assays: DPPH (909.88 +/- 4.25 mg TE/g), ABTS (3358.33 +/- 51.14 mg TE/g), CUPRAC (781.88 +/- 16.37 mg TE/g), FRAP (996.70 +/- 47.28 mg TE/g), and PBD (4.96 +/- 0.26 mmol TE/g), while the dichloromethane extract showed the highest MCA (28.80 +/- 0.32 mg EDTAE/g). The methanol extracts revealed the highest TPC and TFC among the different solvents used, and as for plant part, the stem extracts had the highest TPC ranging from 22.36 +/- 0.26 to 121.78 +/- 1.41 (mg GAE/g), while the leaf extracts showed the highest TFC ranging from 8.43 +/- 0.03 to 75.36 +/- 0.92 (mg RE/g). Our findings tend to provide additional scientific evidence on the biological and chemical activities of P. spina-christi, which may serve as a source of naturally occurring bioactive chemicals with potential biomedical applications., Deanship of Scientific Research at Umm Al-Qura University 22UQU4331128DSR45

A manufacturing design and control of bioactive ingredients from Aloysia citriodora was performed applying microwave-assisted extraction (MAE). Thus, a Response Surface Methodology based on Central Composite Design 23 model was performed to monitor the matrix behavior. The factors were extraction time, percentage of solvent and temperature. The chosen responses were extraction yield and phytochemicals recovery. The design allowed to find the optimal conditions for each response and to validate them in order to attain high quality ingredients. These results pointed out that MAE is a novel technique which could be used to improve the new functional ingredient development.

The work was supported by the project P18-TP-3589 (Regional Ministry of Economy, Knowledge, Enterprise and Universities of Andalusia). The author A.R.-G. would like to thank the project P18-TP-3589, University of Granada and AGR274 group for the contract (265).The author A.G.-V. would like to thank the Spanish National Youth Guarantee Implementation Plan for her contract. The author M.d.C.V.-A. would like to thank the Spanish Ministry of Science,Innovation, and Universities for the grant FPU19/01146. The author M.d.l.L.C.-G. would like to thank the Regional Ministry of Economy, Knowledge, Enterprise and Universities of Andalusia for the contract for Young Researchers (PAIDI) at the University of Granada., The increasing production of tropical fruits followed by their processing results in tons of waste, such as skins or seeds. However, these by-products have been reported to be rich in bioactive compounds (BACs) with excellent properties of interest in the cosmeceutical industry: antioxidant, anti-aging, anti-inflammatory, antimicrobial and photoprotective properties. This review summarizes the tropical fruits most produced worldwide, their bioactive composition and the most important and studied therapeutic properties that their by-products can contribute to skin health, as well as the different approaches for obtaining these compounds using techniques by conventional (Soxhlet, liquid-liquid extraction or maceration) and non-conventional extractions (supercritical fluid extraction (SFE), ultrasound-assisted extraction (UAE), microwave-assisted extraction (MAE), pressurized liquid extraction (PLE) and two-phase aqueous system), followed by their identification by HPLC-MS or GC-MS analysis. Moreover, this work encompasses several studies that may prove the effects of seeds and skins from tropical fruits against oxidative stress, hyperpigmentation, acne, aging or UV radiation. Therefore, the investigation of functional components present in tropical fruit by-products under a circular bioeconomy model could be of great interest for the cosmeceutical industry and a very promising option for obtaining new cosmeceutical formulations., Regional Ministry of Economy, Knowledge, Enterprise and Universities of Andalusia P18-TP-3589, Spanish National Youth Guarantee Implementation Plan P18-TP-3589, University of Granada AGR274 group 265, Spanish National Youth Guarantee Implementation Plan, Spanish Government FPU19/01146 AGR274

Chia seeds are rich sources of different macro and micronutrients associated with health benefits; thus, they may be considered as a functional food. However, the composition depends on the variety, origin, climate and soil. Here, we show a comprehensive characterization of extractable and non-extractable phenolic compounds of dark chia seed Salvia hispanica L. using high-performance liquid chromatography–electrospray ionization–quadrupole time-of-flight (HPLC-ESI-QTOF) and discuss potential health benefits associated with the presence of a number of nutritional and bioactive compounds. We report that dark chia from Jalisco is a high-fiber food, containing omega-3 polyunsaturated fatty acids, essential amino acids (phenylalanine and tryptophan), and nucleosides (adenosine, guanidine and uridine), and rich in antioxidant phenolic compounds, mainly caffeic acid metabolites. Our data suggest that chia seeds may be used as ingredients for the development of functional foods and dietary supplements.

This study aims to validate a new cosmetic ingredient from Salicornia ramosissima S J. Woods through in vitro and ex vivo assays. The halophyte extracts were obtained by subcritical water extraction (SWE) at different temperatures (110, 120, 140, 160 and 180 degrees C). The antioxidant/radical scavenging activities and the phenolic profile were screened for all extracts. The optimal extract was assessed in keratinocytes and fibroblasts, while permeation assays were performed in Franz cells. The inhibitory activity of hyaluronidase and elastase was also evaluated. The sample extracted at 180 degrees C presented the highest phenolic content (1739.28 mg/100 g of dry weight (dw)). Despite not being efficient in the sequestration of ABTS(center dot+), this extract scavenged the DPPH center dot (IC50 = 824.57 mu g/mL). The scavenging capacity of superoxide (O-2(center dot-)) and hypochlorous acid (HOCl) was also considerable (respectively, IC50 = 158.87 mu g/mL and IC50 = 5.80 mu g/mL). The cell viability assays confirmed the absence of negative effects on keratinocytes, while the fibroblasts' viability slightly decreased. The ex vivo permeation of rutin, quercetin and syringic acid after 24 h was, respectively, 11, 20 and 11%. Additionally, the extract showed a good elastase and hyaluronidase inhibitory activity. The results obtained support the S. ramosissima bioactivity as a cosmetic ingredient., Portuguese-Serbia Bilateral Cooperation-Development of functional foods, Science Fund of the Republic of Serbia 7747845 UIDB/50006/2020 UIDP/50006/2020

Strokes are the secondmost common cause of death worldwide and a leading cause of disability. Regular consumption of polyphenols has been shown to reduce the risk of suffering a cardiovascular event. For this reason, we have investigated the protective effect of Salicornia ramosissima, a seasonal halophyte that synthetizes high amounts of bioactive compounds, including polyphenols, in response to environmental stress. Aqueous, hydroalcoholic, and ethanolic extracts were prepared to investigate if dietary supplementation prior to ischemic challenge can prevent subsequent damage using two animal models. First, we screened the protective effect against hypoxia–reoxygenation in Drosophila melanogaster and observed that both ethanolic and hydroalcoholic extracts protected flies from the deleterious effects of hypoxia. Second, we confirmed the protective effect of S. ramosissima ethanolic extract against brain ischemia using the transient middle cerebral artery occlusion mice model. Four weeks of oral supplementation with the ethanolic extract before artery occlusion reduced infarct volume and lowered the plasma levels of the DNA peroxidant product 8-hydroxydeoxyguanosine. Phytochemical profiling of S. ramosissima ethanolic extract revealed 50 compounds. Thus, it represents a valuable source of bioactive compounds that show promising disease-modifying activities and could be further developed as an effective food supplement for the prevention or treatment of neurovascular disorders., PE-0527-2019 Programa Operativo FEDER, Consejería de Transformación Económica, Industria, Conocimiento y Universidades, [PY20_01351], ISCIII, grant number [CD21/00148]

Linseed (Linum usitatissimum L.) is an economically important crop worldwide. After the oil extraction, the cake is generated as a by-product. This study addresses an untargeted profiling of the cakes of four Egyptian cultivars of linseed via RP-HPLC-DAD-QTOF-MS and MS/MS. Totally, 162 metabolites were detected in the samples, being classified into hydroxybenzoic acids (20), hydroxycinnamic acids (20), flavonoids (59), lignans (9), coumarins (1), amino acids (8), peptides (3), cyanogenic glycosides (6), jasmonates (15), nucleosides (2), organic acids (16), and sugars (3). Upon employing principal component analysis and hierarchical cluster analysis, the cultivars were adequately grouped, suggesting that this approach can serve for origin traceability. Besides, the total phenol content and antioxidant activity were determined and in the same line with the previous results. As far as we know, this is the first comprehensive metabolic profiling of linseed cakes that gives a prospect of its relevance for the food industry.

In the present study, the extracts of Cytinus hypocistis (L.) L using both traditional solvents (hexane, ethyl acetate, dichloromethane, ethanol, ethanol/water, and water) and natural deep eutectic solvents (NADESs) were investigated in terms of their total polyphenolic contents and antioxidant and enzyme-inhibitive properties. The extracts were found to possess total phenolic and total flavonoid contents in the ranges of 26.47–186.13 mg GAE/g and 0.68–12.55 mg RE/g, respectively. Higher total phenolic contents were obtained for NADES extracts. Compositional differences were reported in relation to antioxidant potential studied by several assays (DPPH: 70.19–939.35 mg TE/g, ABTS: 172.56–4026.50 mg TE/g; CUPRAC: 97.41–1730.38 mg TE/g, FRAP: 84.11–1534.85 mg TE/g). Application of NADESs (choline chloride—urea 1:2, a so-called Reline) allowed one to obtain the highest number of extracts having antioxidant potential in the radical scavenging and reducing assays. NADES-B (protonated by HCl L-proline-xylitol 5:1) was the only extractant from the studied solvents that isolated a specific fraction without chelating activity. Reline extract exhibited the highest acetylcholinesterase inhibition compared to NADES-B and NADES-C (protonated by H2SO4 L-proline-xylitol 5:1) extracts, which showed no inhibition. The NADES extracts were observed to have higher tyrosinase inhibitory properties compared to extracts obtained by traditional organic solvents. Furthermore, the NADES extracts were relatively better inhibitors of the diabetic enzymes. These findings provided an interesting comparison in terms of total polyphenolic content yields, antioxidant and enzyme inhibitory properties (cholinesterase, amylase, glucosidase, and tyrosinase) between traditional solvent extracts and NADES extracts, used as an alternative. While the organic solvents showed better antioxidant activity, the NADES extracts were found to have some other improved properties, such as higher total phenolic content and enzyme-inhibiting properties, suggesting functional prospects for their use in phytonutrient extraction and fractionation. The obtained results could also be used to give a broad overview of the different biological potentials of C. hypocistis., National Science Centre, Poland UMO-2018/30/E/ST8/00642

In recent years, green and advanced extraction technologies have gained great interest to revalue several food by-products. This by-product revaluation is currently allowing the development of high value-added products, such as functional foods, nutraceuticals, or cosmeceuticals. Among the high valued-added products, cosmeceuticals are innovative cosmetic formulations which have incorporated bioactive natural ingredients providing multiple benefits on skin health. In this context, the extraction techniques are an important step during the elaboration of cosmetic ingredients since they represent the beginning of the formulation process and have a great influence on the quality of the final product. Indeed, these technologies are claimed as efficient methods to retrieve bioactive compounds from natural sources in terms of resource utilization, environmental impact, and costs. This review offers a summary of the most-used green and advanced methodologies to obtain cosmetic ingredients with the maximum performance of these extraction techniques. Response surface methodologies may be applied to enhance the optimization processes, providing a simple way to understand the extraction process as well as to reach the optimum conditions to increase the extraction efficiency. The combination of both assumes an economic improvement to attain high value products that may be applied to develop functional ingredients for cosmetics purposes., Regional Ministry of Economy, Knowledge, Enterprise and Universities of Andalusia P18-TP-3589, Spanish Government FJC2020-044298-I CAS21/00532, University of Castilla-La Mancha - FEDER funds 2019-PREDUCLM-11075

Background: Obesity is considered a global epidemic. This disorder is associated with several health effects, such as metabolic disturbances that need both prevention and treatment actions. In this sense, bioactive secondary metabolites can be obtained from cheap sources such as agro-industrial waste, providing a sustainable alternative against obesity. Among these secondary metabolites, phenolic compounds present a common chemical structure core with different substitutions that provide them with biological properties such as antioxidant, inflammatory, and anti-aging capacities. Objective: The aim of this review is to compile anti-obesity therapeutic targets for phenolic compounds from agro-industrial by-products. Method: Scientific information has been obtained from different databases, such as Scopus, PubMed and Google Scholar, in order to select the available full-text studies conducted in the last few years. Results Results: This review shows that peel, seed, pomace and other byproducts from agro-industry have different effects inhibiting enzymes related to lipid or glucose metabolism and modulating biomarkers, genes and gut microbiota in animal models. Conclusion: Revalorizing actions of agro-industrial byproducts in the prevention or treatment of obesity or associated disorders can be considered to develop new high value products that act on lipid, glucose and energy metabolisms, oxidative stress, inflammation, adipose tissue or gut microbiota. However, further human studies are needed in order to establish the optimal administration parameters.

Background Vitis genus comprised about 70 species. Concerning its pharmacological properties, V. vinifera is the most studied one, but there are other species with interest. Scope and approach Therefore, this review aims to provide an updated overview on bioactive phytochemicals present in food products (grapes and wine) of V. vinifera and other Vitis species, as well as in different underused bioresources (stem, leaves, seeds, wine pomace, etc.). Moreover, due to their promising perspectives in the field of anticancer drug discovery, this bioactivity has been covered as well as the contribution that Vitis phenolic compounds has. Findings and conclusions Among the plant products reviewed, grape seed extracts was the most investigated at preclinical phase, hence exhibiting a promising potential as anticancer drugs. However, an evidence-based clinical efficacy is still lacking.

WOS: 000478263400001, PubMed: 31225640, BACKGROUND In this study, we aimed to evaluate the influence of different extraction procedures [decoction, homogenizer-assisted extraction (HAE), infusion, maceration, Soxhlet and ultrasound-assisted extraction (UAE)] on the chemical profiling and biological properties of methanol and water extracts of Pulicaria dysenterica (L.) Bernh. The chemical profiles of the extracts were evaluated by high-performance liquid chromatography coupled to electrospray ionization and time-of-flight mass spectrometry (HPLC-ESI-TOF-MS). The antioxidant properties and enzymes (lipase, alpha-amylase, alpha-glucosidase, tyrosinase and cholinesterases) inhibitory potential of the extracts were evaluated. RESULTS The chemical profiles were dependent on the type of extraction methods as well as on the type of solvent. The methanolic extracts showed higher levels of total phenolic, flavonoid, and phenolic acid content, while the highest total flavonol content was observed in the HAE-water extract. Forty different compounds were identified from P. dysenterica. In relation to the potential in vitro anti-diabetic effects, the highest activity against the studied key enzymes was observed for the macerated extract (alpha-amylase: 0.58 +/- 0.03 and alpha- glucosidase: 1.65 +/- 0.03 mmol ACAE g(-1)). The HAE-methanol extract was the most potent inhibitor of cholisterases, whereas the highest activities against tyrosinase were observed for UAE-methanol extract, followed by macerated and Soxhlet. The inhibitory activity of the studied extracts against lipase were in the order: soxhlet > macerated> HAE-methanol > UAE-methanol. CONCLUSION This study has established scientific baseline data on the therapeutic properties of P. dysentrica, thereby advocating the need for further investigations in an endeavour to develop novel pharmaceuticals from this plant. (c) 2019 Society of Chemical Industry

Catechol-containing polyphenols present in coffee and tea, while serving as excellent substrates for catechol-O-methyltransferase (COMT)-catalyzed O-methylation, can also operate as COMT inhibitors. However, little is known about the relationship between COMT and the characteristic phenolics present in extra virgin olive oil (EVOO). We here selected the EVOO dihydroxy-phenol oleacein for a computational study of COMT-driven methylation using classic molecular docking/molecular dynamics simulations and hybrid quantum mechanical/molecular mechanics, which were supported by in vitro activity studies using human COMT. Oleacein could be superimposed onto the catechol-binding site of COMT, maintaining the interactions with the atomic positions involved in methyl transfer from the S-adenosyl-L-methionine cofactor. The transition state structure for the meta-methylation in the O5 position of the oleacein benzenediol moiety was predicted to occur preferentially. Enzyme analysis of the conversion ratio of catechol to O-alkylated guaiacol confirmed the inhibitory effect of oleacein on human COMT, which remained unaltered when tested against the protein version encoded by the functional Val158Met polymorphism of the COMT gene. Our study provides a theoretical determination of how EVOO dihydroxy-phenols can be metabolized via COMT. The ability of oleacein to inhibit COMT adds a new dimension to the physiological and therapeutic utility of EVOO secoiridoids.

In this study, phytochemical profiling of hydro-alcoholic extract of Ammoides atlantica aerial parts has been carried out using RP-UHPLC-ESI-QTOF-MS in negative ionization mode Chemical characterization was established according to the MS and MS/MS spectra. A total of 66 chemical compounds were detected. Among these, 45 compounds were identified: hydroxycinnamic acid and derivatives (26), hydroxybenzoic acids (4), flavones (11), flavonols (3), and a lignan. Total phenolics (371.57 mg/g) and total flavonoids (41.02 mg/g) contents were also determined. Moreover, the antioxidant activity of A. atlantica extract was also studied by six methods: DPPH (IC50: 23.31 µg/mL), ABTS+ (IC50: 11.31 µg/mL), O2- DMSO alkaline (IC50: 3.19 µg/mL), ferrous ions chelating assays (IC50: 102.35 µg/mL), reducing power (A0.50: 92.70 µg/mL) and CUPRAC (A0.50: 13.56 µg/mL) assays. These results suggest that the antioxidant activity of the hydroalcoholic extract was comparable to common antioxidant additives in most of the tests, representing a good alternative.

Hibiscus sabdariffa is used as potent phytochemical agent due to its phenolic composition. On the other hand, Supercritical Fluid Extraction (SFE) is considered a green extraction technique that provides a selective extraction using a supercritical solvent. In this work, extraction parameters such as temperature, pressure of CO2 and percentage of co-solvent were evaluated on the chemical composition of Hibiscus sabdariffa by Response Surface Methodology (RSM). After that, individual compound concentration was determined by HPLC-ESI-TOF-MS. This design, allowed found the optimal conditions for total phenolic and organic acids content. Each chemical group showed different behavior against SFE. Despite organic acids exhibited an irregular trend; the quadratic model was fitted for total phenolic compounds. Therefore, SFE has demonstrated to be a suitable and selective technique to maximize the extraction of several phytochemical compounds from H. sabdariffa calyces.

Grapevine-derived products have been widely studied for their reported benefits, especially those related to the prevention of cardiovascular diseases. However, in recent years, the interest in the study of grapes and their non-fermented derivatives (grape juices) has gained prominence over the well-known interest in red wine, since grapes and grape juices seem to be widely related to the beneficial effects associated with the Mediterranean diet, and consequently to the presence of phenolic compounds. The focus of this systematic review was the phenolic profiles of grape, juice, and wine, as well as the possible beneficial effects of their consumption on the human microbiota through a systematic literature review. PubMed and Scopus were accessed during April 2021 and the PRISMA methodological protocol was followed. To the best of our knowledge, this is the first time that the PRISMA methodology has been applied to this systematic knowledge. This methodology allowed for a scientific description of: (a) the comparison between grapes and their derived products as source of phenolic compounds, (b) great possibilities for working on a new line of investigation based on the synergy between polyphenol consumption and microbiota, and (c) the urgent need for strategies to improve the bioavailability of these compounds.

Avocado seed and peel are the main by-products from avocado industrialisation, and account for nearly 30% of fruit weight. Although they are usually discarded, their high phenolic content has been deeply associated with several nutritional and functional benefits. Thus, for a comprehensive analytical evaluation of both semi-industrial extracts, various steps have been developed: tentative characterisation and quantification of the phenolic composition using HPLC-ESI-qTOF-MS, determination of TPC and antioxidant activity by Folin–Ciocalteu, FRAP, TEAC and ORAC methods, evaluation of scavenging capacity against different ROS and measurement of the enzymatic inhibitory potential against potentially harmful enzymes. Finally, their bioactive potential was tested in a human platelet model where antiaggregatory activity was measured. Hence, 48 different compounds were identified, where flavonoids and procyanidins were the most representative groups. The higher TPC was found in avocado peel extract (190 ± 3 mg/g), which showed more antioxidant power and more capacity to decrease ROS generation than seed extract (60 ± 2 mg/g). In addition, both extracts showed enzymatic inhibition, especially against hyaluronidase, xanthine oxidase and acetylcholinesterase. Lastly, avocado peel was proven to inhibit platelet aggregation with significant results at 1, 0.75 and 0.5 mg/mL, where the extract showed reducing effects on agonists’ expression such as p-selectin or GPIIb/IIIa complex. These results demonstrate that both semi-industrial extracts—above all, avocado peel—have an interesting potential to be exploited as a natural by-product with antioxidant properties with multiple applications for the prevention of different pathologies.