Publications by authors named "Panagiotis Zoumpoulakis"

69 Publications

Exploring the 2'-Hydroxy-Chalcone Framework for the Development of Dual Antioxidant and Soybean Lipoxygenase Inhibitory Agents.

Molecules 2021 May 8;26(9). Epub 2021 May 8.

Laboratory of Organic Chemistry, Department of Chemical Sciences, School of Chemical Engineering, National Technical University of Athens, Heroon Polytechniou 9, Zografou Campus, 15780 Athens, Greece.

2'-hydroxy-chalcones are naturally occurring compounds with a wide array of bioactivity. In an effort to delineate the structural features that favor antioxidant and lipoxygenase (LOX) inhibitory activity, the design, synthesis, and bioactivity profile of a series of 2'-hydroxy-chalcones bearing diverse substituents on rings A and B, are presented. Among all the synthesized derivatives, chalcone , bearing two hydroxyl substituents on ring B, was found to possess the best combined activity (82.4% DPPH radical scavenging ability, 82.3% inhibition of lipid peroxidation, and satisfactory LOX inhibition value (IC = 70 μM). Chalcone , possessing a methoxymethylene substituent on ring A, and three methoxy groups on ring B, exhibited the most promising LOX inhibitory activity (IC = 45 μM). A combination of in silico techniques were utilized in an effort to explore the crucial binding characteristics of the most active compound and its analogue , to LOX. A common H-bond interaction pattern, orienting the hydroxyl and carbonyl groups of the aromatic ring A towards Asp768 and Asn128, respectively, was observed. Regarding the analogue , the bulky (-OMOM) group does not seem to participate in a direct binding, but it induces an orientation capable to form H-bonds between the methoxy groups of the aromatic ring B with Trp130 and Gly247.
View Article and Find Full Text PDF

Download full-text PDF

Source
http://dx.doi.org/10.3390/molecules26092777DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8125951PMC
May 2021

Dietary Interventions with Polyphenols in Osteoarthritis: A Systematic Review Directed from the Preclinical Data to Randomized Clinical Studies.

Nutrients 2021 Apr 23;13(5). Epub 2021 Apr 23.

Department of Nutrition and Dietetics, School of Health Science and Education, Harokopio University, 18345 Athens, Greece.

Osteoarthritis (OA) is the most common form of arthritis and a major cause of limited functionality and thus a decrease in the quality of life of the inflicted. Given the fact that the existing pharmacological treatments lack disease-modifying properties and their use entails significant side effects, nutraceuticals with bioactive compounds constitute an interesting field of research. Polyphenols are plant-derived molecules with established anti-inflammatory and antioxidant properties that have been extensively evaluated in clinical settings and preclinical models in OA. As more knowledge is gained in the research field, an interesting approach in the management of OA is the additive and/or synergistic effects that polyphenols may have in an optimized supplement. Therefore, the aim of this review was to summarize the recent literature regarding the use of combined polyphenols in the management of OA. For that purpose, a PubMed literature survey was conducted with a focus on some preclinical osteoarthritis models and randomized clinical trials on patients with osteoarthritis from 2018 to 2021 which have evaluated the effect of combinations of polyphenol-rich extracts and purified polyphenol constituents. Data indicate that combined polyphenols may be promising for the treatment of osteoarthritis in the future, but more clinical trials with novel approaches in the identification of the in-between relationship of such constituents are needed.
View Article and Find Full Text PDF

Download full-text PDF

Source
http://dx.doi.org/10.3390/nu13051420DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8145539PMC
April 2021

Insights into intrauterine growth restriction based on maternal and umbilical cord blood metabolomics.

Sci Rep 2021 Apr 9;11(1):7824. Epub 2021 Apr 9.

Institute of Chemical Biology, National Hellenic Research Foundation, Athens, Greece.

Intrauterine growth restriction (IUGR) is a fetal adverse condition, ascribed by limited oxygen and nutrient supply from the mother to the fetus. Management of IUGR is an ongoing challenge because of its connection with increased fetal mortality, preterm delivery and postnatal pathologies. Untargeted nuclear magnetic resonance (H NMR) metabolomics was applied in 84 umbilical cord blood and maternal blood samples obtained from 48 IUGR and 36 appropriate for gestational age (AGA) deliveries. Orthogonal projections to latent structures discriminant analysis (OPLS-DA) followed by pathway and enrichment analysis generated classification models and revealed significant metabolites that were associated with altered pathways. A clear association between maternal and cord blood altered metabolomic profile was evidenced in IUGR pregnancies. Increased levels of the amino acids alanine, leucine, valine, isoleucine and phenylalanine were prominent in IUGR pregnancies indicating a connection with impaired amino acid metabolism and transplacental flux. Tryptophan was individually connected with cord blood discrimination while 3-hydroxybutyrate assisted only maternal blood discrimination. Lower glycerol levels in IUGR samples ascribed to imbalance between gluconeogenesis and glycolysis pathways, suggesting poor glycolysis. The elevated levels of branched chain amino acids (leucine, isoleucine and valine) in intrauterine growth restricted pregnancies were linked with increased insulin resistance.
View Article and Find Full Text PDF

Download full-text PDF

Source
http://dx.doi.org/10.1038/s41598-021-87323-7DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8035183PMC
April 2021

Silver Nanoparticles from Oregano Leaves' Extracts as Antimicrobial Components for Non-Infected Hydrogel Contact Lenses.

Int J Mol Sci 2021 Mar 29;22(7). Epub 2021 Mar 29.

Inorganic Chemistry Laboratory, Department of Chemistry, University of Ioannina, 45110 Ioannina, Greece.

The oregano leaves' extract (ORLE) was used for the formation of silver nanoparticles (AgNPs(ORLE)). ORLE and AgNPs(ORLE) (2 mg/mL) were dispersed in polymer hydrogels to give the [email protected]_2 and [email protected](ORLE)_2 using hydroxyethyl-methacrylate (HEMA). The materials were characterized by X-ray fluorescence (XRF) spectroscopy, X-ray powder diffraction analysis (XRPD), thermogravimetric differential thermal analysis (TG-DTA), derivative thermogravimetry/differential scanning calorimetry (DTG/DSC), ultraviolet (UV-Vis), and attenuated total reflection mode (ATR-FTIR) spectroscopies in solid state and UV-Vis in solution. The crystallite size value, analyzed with XRPD, was determined at 20 nm. The antimicrobial activity of the materials was investigated against Gram-negative bacterial strains () and (). The Gram-positive ones of the genus of () and () are known to be involved in microbial keratitis by the means of inhibitory zone (IZ), minimum inhibitory concentration (MIC), and minimum bactericidal concentration (MBC). The IZs, which developed upon incubation of , , and with paper discs soaked in 2 mg/mL of AgNPs(ORLE), were 11.7 ± 0.7, 13.5 ± 1.9, 12.7 ± 1.7, and 14.3 ± 1.7 mm. When the same dose of ORLE was administrated, the IZs were 10.2 ± 0.7, 9.2 ± 0.5, 9.0 ± 0.0, and 9.0 ± 0.0 mm. The percent of bacterial viability when they were incubated over the polymeric hydrogel discs of [email protected](ORLE)_2 was interestingly low (66.5, 88.3, 77.7, and 59.6%, respectively, against of , , and ) and those of [email protected]_2 were 89.3, 88.1, 92.8, and 84.6%, respectively. Consequently, [email protected](ORLE)_2 could be an efficient candidate toward the development of non-infectious contact lenses.
View Article and Find Full Text PDF

Download full-text PDF

Source
http://dx.doi.org/10.3390/ijms22073539DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8037402PMC
March 2021

On the Identification and Quantification of Ergothioneine and Lovastatin in Various Mushroom Species: Assets and Challenges of Different Analytical Approaches.

Molecules 2021 Mar 24;26(7). Epub 2021 Mar 24.

Institute of Chemical Biology, National Hellenic Research Foundation 48, Vas. Constantinou Ave., 11635 Athens, Greece.

In recent years, mushrooms have drawn the attention of agro-industries and food-industries as they were considered to be valuable natural sources of health promoting compounds such as β-glucans, ergothioneine, and lovastatin. The detection and quantification of such compounds by implementing reliable analytical approaches is of the utmost importance in order to adjust mushrooms' cultivation conditions and maximize the production in different species. Toward this direction, the current study focuses on the comparison of ultraviolet-visible (UV-Vis) spectrometry and liquid chromatography-mass spectrometry (LC-MS) methods (a) by evaluating the content of ergothioneine and lovastatin in mushrooms and (b) by highlighting any possible substrate-based interferences that hinder the accurate determination of these two compounds in order to propose the technique-of-choice for a standardized bioactive compounds monitoring. For this purpose, mushrooms produced by three species (i.e., , , and ) on various cultivation substrates, namely wheat straw (WS), winery (grape marc (GM)), and olive oil (OL) by-products, were examined. Among the two applied techniques, the developed and validated LC-MS methods, exhibiting relatively short analysis time and higher resolution, emerge as the methods-of-choice for detecting ergothioneine and lovastatin in mushrooms. On the contrary, UV-Vis methods were hindered due to co-absorbance of different constituents, resulting in invalid results. Among the studied mushrooms, contained the highest amount of ergothioneine (822.1 ± 20.6 mg kg dry sample), whereas contained the highest amounts of lovastatin (1.39 ± 0.014 mg kg dry sample). Regarding the effect of different cultivation substrates, mushrooms produced on OL and WS contained the highest amount of ergothioneine, while mushrooms deriving from GM-based substrates contained the highest amount of lovastatin.
View Article and Find Full Text PDF

Download full-text PDF

Source
http://dx.doi.org/10.3390/molecules26071832DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8036957PMC
March 2021

The Triazole Ring as a Privileged Scaffold for Putative Antifungals: Synthesis and Evaluation of a Series of New Analogues.

ChemMedChem 2021 Jan 20;16(1):134-144. Epub 2020 Aug 20.

Dipartimento di Farmacia-Scienze del Farmaco, Università degli Studi di Bari "Aldo Moro", via E. Orabona 4, 70125, Bari, Italy.

The significant antifungal activity of a series of novel 1,2,4-triazole derivatives against different strains of Candida albicans, Candida krusei and Aspergillus fumigatus, compared to the commercial fungicides ketoconazole and itraconazole, is reported. Systemic mycosis and invasive fungal infections, whether from immunodeficiency or hospital-acquired infection, have been on an upward trend for several years. The 1,2,4-triazole ring substituted with other aromatic and heteroaromatic systems plays an important role in the field of antifungal drug discovery and development. Thus, an extensive series of 29 triazoles, substituted in different positions with a variety of aromatic rings, has been designed, synthesized, and evaluated for their fungicidal activity. Almost all the agents tested in vitro showed high activity against all examined fungal strains. It is noteworthy that, in the case of A. fumigatus, all the examined compounds achieved equal or higher antifungal activity than ketoconazole, but less activity than itraconazole. Among all the derivatives studied, the dichlorourea analogue and bromo-substituted triazole stand out as the most promising compounds. Quantitative structure-activity relationship (QSAR) models were built for a systematic structure-activity relationship (SAR) profile to explain and potentially explore the potency characteristics of 1,2,4-triazole analogues.
View Article and Find Full Text PDF

Download full-text PDF

Source
http://dx.doi.org/10.1002/cmdc.202000312DOI Listing
January 2021

Synthesis, biological evaluation and QSAR studies of new thieno[2,3-d]pyrimidin-4(3H)-one derivatives as antimicrobial and antifungal agents.

Bioorg Chem 2021 Jan 26;106:104509. Epub 2020 Nov 26.

National Hellenic Research Foundation, Institute of Chemical Biology, 48 Vassileos Constantinou Avenue, 11653 Athens, Greece. Electronic address:

A series of new thieno[2,3-d]pyrimidin-4(3H)-one derivatives were synthesized and evaluated for their activity against four gram-positive and four gram-negative bacterial and eight fungal species. The majority of the compounds exhibited excellent antimicrobial and antifungal activity, being more potent than the control compounds. Compound 22, bearing a m-methoxyphenyl group and an ethylenediamine side chain anchored at C-2 of the thienopyrimidinone core, is the most potent antibacterial compound with broad antimicrobial activity with MIC values in the range of 0.05-0.13 mM, being 6 to 15 fold more potent than the controls, streptomycin and ampicillin. Furthermore, compounds 14 and 15 which bear a p-chlorophenyl and m-methoxyphenyl group, respectively, and share a 2-(2-mercaptoethoxy)ethan-1-ol side chain showed the best antifungal activity, being 10-15 times more potent than ketoconazole or bifonazole with MIC values 0.013-0.026 and 0.027 mM, respectively. Especially in the case of compound 15 the low MIC values were accompanied by excellent MFC values ranging from 0.056 to 0.058 mM. Evaluation of toxicity in vitro on HFL-1 human embryonic primary cells and in vivo in the nematode C. elegans revealed no toxic effects for both compounds 15 and 22 tested at the MIC concentrations. Ligand-based similarity search and molecular docking predicted that the antibacterial activity of analogue 22 is related to inhibition of the topoisomerase II DNA gyrase enzyme and the antifungal activity of compound 15 to CYP51 lanosterol demethylase enzyme. R-Group analysis as a means of computational structure activity relationship tool, highlighted the compounds' crucial pharmacophore features and their impact on the antibacterial and antifungal activity. The presence of a N-methyl piperidine ring fused to the thienopyrimidinone core plays an important role in both activities.
View Article and Find Full Text PDF

Download full-text PDF

Source
http://dx.doi.org/10.1016/j.bioorg.2020.104509DOI Listing
January 2021

Design, Synthesis, and in vitro Evaluation of P2X7 Antagonists.

ChemMedChem 2020 Dec 16;15(24):2530-2543. Epub 2020 Oct 16.

Institute of Chemical Biology, National Hellenic Research Foundation, 48 Vassileos Constantinou Ave., 11635, Athens, Greece) E-mail: mailto.

The P2X7 receptor is a promising target for the treatment of various diseases due to its significant role in inflammation and immune cell signaling. This work describes the design, synthesis, and in vitro evaluation of a series of novel derivatives bearing diverse scaffolds as potent P2X7 antagonists. Our approach was based on structural modifications of reported (adamantan-1-yl)methylbenzamides able to inhibit the receptor activation. The adamantane moieties and the amide bond were replaced, and the replacements were evaluated by a ligand-based pharmacophore model. The antagonistic potency of the synthesized analogues was assessed by two-electrode voltage clamp experiments, using Xenopus laevis oocytes that express the human P2X7 receptor. SAR studies suggested that the replacement of the adamantane ring by an aryl-cyclohexyl moiety afforded the most potent antagonists against the activation of the P2X7 cation channel, with analogue 2-chloro-N-[1-(3-(nitrooxymethyl)phenyl)cyclohexyl)methyl]benzamide (56) exhibiting the best potency with an IC value of 0.39 μM.
View Article and Find Full Text PDF

Download full-text PDF

Source
http://dx.doi.org/10.1002/cmdc.202000303DOI Listing
December 2020

Nanosystems for the Encapsulation of Natural Products: The Case of Chitosan Biopolymer as a Matrix.

Pharmaceutics 2020 Jul 16;12(7). Epub 2020 Jul 16.

Institute of Chemical Biology, National Hellenic Research Foundation, Vassileos Constantinou Ave. 48, 116 35 Athens, Greece.

Chitosan is a cationic natural polysaccharide, which has emerged as an increasingly interesting biomaterialover the past few years. It constitutes a novel perspective in drug delivery systems and nanocarriers' formulations due to its beneficial properties, including biocompatibility, biodegradability and low toxicity. The potentiality of chemical or enzymatic modifications of the biopolymer, as well as its complementary use with other polymers, further attract the scientific community, offering improved and combined properties in the final materials. As a result, chitosan has been extensively used as a matrix for the encapsulation of several valuable compounds. In this review article, the advantageous character of chitosan as a matrix for nanosystemsis presented, focusing on the encapsulation of natural products. A five-year literature review is attempted covering the use of chitosan and modified chitosan as matrices and coatings for the encapsulation of natural extracts, essential oils or pure naturally occurring bioactive compounds are discussed.
View Article and Find Full Text PDF

Download full-text PDF

Source
http://dx.doi.org/10.3390/pharmaceutics12070669DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7407519PMC
July 2020

Expanding the Role of Sub-Exploited DOE-High Energy Extraction and Metabolomic Profiling towards Agro-Byproduct Valorization: The Case of Carotenoid-Rich Apricot Pulp.

Molecules 2020 Jun 11;25(11). Epub 2020 Jun 11.

Institute of Chemical Biology, National Hellenic Research Foundation, 48, Vas. Constantinou Ave., 11635 Athens, Greece.

Traditional extraction remains the method-of-choice for phytochemical analyses. However, the absence of an integrated analytical platform, focusing on customized, validated extraction steps, generates tendentious and non-reproducible data regarding the phytochemical profile. Such a platform would also support the exploration and exploitation of plant byproducts, which are a valuable source of bioactive metabolites. This study deals with the incorporation of (a) the currently sub-exploited high energy extraction methods (ultrasound (UAE)- and microwave-assisted extraction (MAE)), (b) experimental design (DOE), and (c) metabolomics, in an integrated analytical platform for the extensive study of plant metabolomics and phytochemical profiling. The recovery of carotenoids from apricot by-products (pulp) is examined as a case study. MAE, using ethanol as solvent, achieved higher carotenoid yields compared to UAE, where 1:1 chloroform-methanol was employed, and classic extraction. Nuclear magnetic resonance (NMR)-based metabolomic profiling classified extracts according to the variations in co-extractives in relation to the extraction conditions. Extracts with a lower carotenoid content contained branched-chain amino acids as co-extractives. Medium carotenoid content extracts contained choline, unsaturated fatty acids, and sugar alcohols, while the highest carotenoid extracts were also rich in sugars. Overall, the proposed pipeline can provide different the phytochemical fractions of bioactive compounds according to the needs of different industrial sectors (cosmetics, nutraceuticals, etc.).
View Article and Find Full Text PDF

Download full-text PDF

Source
http://dx.doi.org/10.3390/molecules25112702DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7321327PMC
June 2020

Copper Complexing Capacity and Trace Metal Content in Common and Balsamic Vinegars: Impact of Organic Matter.

Molecules 2020 Feb 15;25(4). Epub 2020 Feb 15.

Harokopio University of Athens, Department of Dietetics-Nutrition, School of Health Science and Education, El. Venizelou 70, Kallithea, 176 76 Athens, Greece.

Complex formation is among the mechanisms affecting metal bioaccessibility. Hence, the quantification of organic metal complexation in food items is of interest. Organic ligands in solutions of environmental and/or food origin function as buffering agents against small changes in dissolved metal concentrations, being able to maintain free metal ion concentrations below the toxicity threshold. Organic matter in vinegars consists of bioactive compounds, such as polyphenols, Maillard reaction endproducts, etc., capable of complexing metal ions. Furthermore, transition metal ions are considered as micronutrients essential for living organisms exerting a crucial role in metabolic processes. In this study, differential pulse anodic stripping voltammetry (DPASV), a sensitive electrochemical technique considered to be a powerful tool for the study of metal speciation, was applied for the first time in vinegar samples. The concentrations of Cu complexing ligands () in 43 vinegars retailed in Greece varied between 0.05 and 52 μM, with the highest median concentration determined in balsamic vinegars (14 μM), compared to that of common vinegars (0.86 μM). In 21% of the vinegar samples examined, values were exceeded by the corresponding total Cu concentrations, indicating the presence of free Cu ion and/or bound within labile inorganic/organic complexes. Red grape balsamic vinegars exhibited the highest density of Cu ligands per mass unit of organic matter compared to other foodstuffs such as herbal infusions, coffee brews, and beers. Among the 16 metals determined in vinegars, Pb is of particular importance from a toxicological point of view, whereas further investigation is required regarding potential Rb biomagnification.
View Article and Find Full Text PDF

Download full-text PDF

Source
http://dx.doi.org/10.3390/molecules25040861DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7070403PMC
February 2020

Novel quinolinone-pyrazoline hybrids: synthesis and evaluation of antioxidant and lipoxygenase inhibitory activity.

Mol Divers 2021 May 17;25(2):723-740. Epub 2020 Feb 17.

Laboratory of Organic Chemistry, School of Chemical Engineering, National Technical University of Athens, Zografou Campus, 15780, Athens, Greece.

The present project deals with the investigation of structure-activity relationship of several quinolinone-chalcone and quinolinone-pyrazoline hybrids, in an effort to discover promising antioxidant and anti-inflammatory agents. In order to accomplish this goal, four bioactive hybrid quinolinone-chalcone compounds (8a-8d) were synthesized via an aldol condensation reaction, which were then chemically modified, forming fifteen new pyrazoline analogues (9a-9o). All the synthesized analogues were in vitro evaluated in terms of their antioxidant and soybean lipoxygenase (LOX) inhibitory activity. Among all the pyrazoline derivatives, compounds 9b and 9m were found to possess the best combined activity, whereas 9b analogue exhibited the most potent LOX inhibitory activity, with IC value 10 μM. The in silico docking results revealed that the synthetic pyrazoline analogue 9b showed high AutoDock Vina score (- 10.3 kcal/mol), while all the tested derivatives presented allosteric interactions with the enzyme.
View Article and Find Full Text PDF

Download full-text PDF

Source
http://dx.doi.org/10.1007/s11030-020-10045-xDOI Listing
May 2021

Early Human-Milk Metabolome in Cases of Intrauterine Growth-Restricted and Macrosomic Infants.

JPEN J Parenter Enteral Nutr 2020 11 5;44(8):1510-1518. Epub 2020 Feb 5.

Medical School, National and Kapodistrian University of Athens, Athens, Greece.

Background: Abnormal fetal growth is associated with short-term and long-term metabolic dysregulation and susceptibility to obesity-related disorders. Maternal milk, the ideal source of infantile nutrition, protects from metabolic diseases in adulthood. By applying nuclear magnetic resonance (NMR) metabolomics, this study investigated the metabolic profile of early human milk/colostrum (EHM/C) at the extremes of fetal-growth conditions, which could affect its nutritional value.

Methods: From 98 mothers delivering 60 appropriate-for-gestational-age (AGA), 19 large-for-gestational-age (LGA), and 19 intrauterine growth-restricted (IUGR) full-term neonates, milk samples collected on the third to fourth day post partum were examined by NMR spectroscopy. Multivariate data analysis elicited information from NMR spectra and probed to metabolic signatures of EHM/C.

Results: LGA and IUGR EHM/C samples depicted increased content in lactose, citric acid, choline, phosphocholine, and N-acetylglutamine. AGA samples exhibited increased isoleucine and valine. Metabolic pathways involved were valine, leucine/isoleucine biosynthesis and degradation, glycerophospholipid metabolism, aminoacyl-transfer RNA biosynthesis, and citrate cycle. Orthogonal projections to latent structures discriminant analysis models were validated.

Conclusion: This holistic metabolomics study framed an increased content of certain essential nutrients in EHM/C samples following the birth of LGA and IUGR infants prone to short- and long-term metabolic disorders, thus stressing additional benefits of early breastfeeding. Assessing the metabolic profile of EHΜ/C enables evaluation of its nutrition value, adjusted to fetal growth, and introduction of appropriate dietary interventions.
View Article and Find Full Text PDF

Download full-text PDF

Source
http://dx.doi.org/10.1002/jpen.1783DOI Listing
November 2020

Combined Computational and Structural Approach into Understanding the Role of Peptide Binding and Activation of Melanocortin Receptor 4.

J Chem Inf Model 2020 03 6;60(3):1461-1468. Epub 2020 Feb 6.

Department of Pharmacy, University of Patras, 26500 Patras, Greece.

Melanocortin receptor 4 (MC4R) is expressed predominantly in the central nervous system and regulates food intake and sexual function and is also thought to be responsible for effects on mood and cognition. It belongs to the melanocortin receptor subfamily of G protein-coupled receptors (GPCRs). Here, we have synthesized and structurally characterized three peptides that bind to MC4R, producing different signaling events. AgRP is a naturally occurring antagonist, HLWNRS is the minimal sequence of the N-terminal with partial agonist activity, and aMSH is a full agonistic peptide. By implementing molecular dynamics simulations on the different peptide-receptor complexes, we propose their molecular basis of binding to investigate their differential molecular properties regarding the activation states of the receptor. Our analysis shows that the agonist and partial agonist may induce rotation in transmembrane helix 3, which is known to be involved in the key events occurring during GPCR activation, and this movement is impacted by certain aromatic residues and their positioning in the orthosteric binding site of the receptor.
View Article and Find Full Text PDF

Download full-text PDF

Source
http://dx.doi.org/10.1021/acs.jcim.9b01196DOI Listing
March 2020

Effects of Infrared Radiation on Eggplant ( L.) Greenhouse Cultivation and Fruits' Phenolic Profile.

Foods 2019 Dec 2;8(12). Epub 2019 Dec 2.

Institute of Chemical Biology, National Hellenic Research Foundation, 48 Vas. Constantinou Ave., 11635 Athens, Greece.

The implementation of Infrared (IR) radiation in heated greenhouses possesses the advantage of high directional control and focused compensation of energy losses, appropriate for creating local microclimate conditions in highly energy-consuming systems, such as greenhouses. Moreover, it can efficiently maintain favorable environmental conditions at the plant canopy. The present study studies the application of Infrared (IR) heating in an experimental greenhouse with eggplant ( L.) cultivation. The experimental results are presented from a full cultivation period inside two identical, small scale experimental greenhouses, with IR and forced air heating system, respectively. The effects of IR heating over plant growth parameters, including the yield of the fruits as well as the total phenolic content and the antioxidant profile of eggplants fruits' extracts are measured and discussed. The results indicate a greater uniformity production in the IR heating greenhouse in terms of antioxidant and radical scavenging activities, as well as the total phenolic content. Moreover, the phenolic profile of eggplant fruits from both greenhouses revealed the existence of numerous bioactive compounds, some of which were only characteristic of the eggplant fruits from IR heated greenhouses.
View Article and Find Full Text PDF

Download full-text PDF

Source
http://dx.doi.org/10.3390/foods8120630DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6963297PMC
December 2019

Novel Hit Compounds as Putative Antifungals: The Case of .

Molecules 2019 Oct 25;24(21). Epub 2019 Oct 25.

Institute of Chemical Biology, National Hellenic Research Foundation, 48, Vas. Constantinou Avenue, 11635 Athens, Greece.

The prevalence of invasive fungal infections has been dramatically increased as the size of the immunocompromised population worldwide has grown. is characterized as one of the most widespread and ubiquitous fungal pathogens. Among antifungal drugs, azoles have been the most widely used category for the treatment of fungal infections. However, increasingly, azole-resistant strains constitute a major problem to be faced. Towards this direction, our study focused on the identification of compounds bearing novel structural motifs which may evolve as a new class of antifungals. To fulfil this scope, a combination of in silico techniques and in vitro assays were implemented. Specifically, a ligand-based pharmacophore model was created and served as a 3D search query to screen the ZINC chemical database. Additionally, molecular docking and molecular dynamics simulations were used to improve the reliability and accuracy of virtual screening results. In total, eight compounds, bearing completely different chemical scaffolds from the commercially available azoles, were proposed and their antifungal activity was evaluated using in vitro assays. Results indicated that all tested compounds exhibit antifungal activity, especially compounds , , and , which presented the most promising minimum inhibitory concentration (MIC) and minimum fungicidal concentration (MFC) values and, therefore, could be subjected to further hit to lead optimization.
View Article and Find Full Text PDF

Download full-text PDF

Source
http://dx.doi.org/10.3390/molecules24213853DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6864791PMC
October 2019

Antioxidant Profiles of Vitis vinifera L. and Salvia triloba L. Leaves Using High-Energy Extraction Methodologies.

J AOAC Int 2020 Apr;103(2):413-421

National Hellenic Research Foundation, Institute of Chemical Biology, 48 Vas. Constantinou Ave, 11635 Athens, Greece.

The profiles of Vitis vinifera L. and Salvia triloba L. leaf extracts have been studied via photometric assays on the basis of their total phenolic and flavonoid content as well as of their radical scavenging and antioxidant activities. Ultrasound-assisted (UAE) and pressurized liquid extractions (PLE) were implemented for producing polar fractions from the plants, using different methanol-water and glycerol-water mixtures for UAE and PLE, respectively. Aqueous methanol was proved an effective solvent for the UAE of total phenolics and flavonoids as well as for increased radical scavenging and antioxidant activities. As for PLE, plain water was proved a more efficient solvent than hydroglycerolic mixtures. Overall, irrespective of the solvent(s) used, UAE extracts showed higher values compared with the PLE extracts for all the photometric determinations and for both plant species. Moreover, Salvia UAE and PLE extracts presented higher total phenolic and flavonoid contents, accompanied by higher radical scavenging and antioxidant activities, compared with Vitis extracts. The correlations among photometric results were also studied, indicating the categories of compounds that relate to the antioxidant and/or radical scavenging activities of the extracts. Mixtures of the examined extracts could be exploited as the basis of novel phytotherapeutic products in the cosmetic sector.
View Article and Find Full Text PDF

Download full-text PDF

Source
http://dx.doi.org/10.5740/jaoacint.19-0261DOI Listing
April 2020

Capsaicin, an inhibitor of Ochratoxin A production by section strains in grapes ( L.).

Food Addit Contam Part A Chem Anal Control Expo Risk Assess 2019 Nov 22;36(11):1709-1721. Epub 2019 Aug 22.

Laboratory of Food Chemistry, Department of Chemistry, National and Kapodistrian University of Athens, Athens, Greece.

Food decay by spoilage fungi leads to significant economic losses and hazards to consumers' health due to the potential of mycotoxin occurrence. Ochratoxin A (OTA) is a mycotoxin known as nephrotoxic and carcinogenic to humans. Natural capsaicin was evaluated for its effectiveness against the growth of five section strains and accumulation of OTA in inoculated black grapes. Results showed that capsaicin was effective in inhibiting fungal growth and OTA production by new four section strains (ATHUM 6997, 6998, 6999, 7000) and by as well. Moreover, capsaicin addition exhibited maximum inhibition of OTA produced by ATHUM 6997, 6998, 6999, and 7000 in black grapes at 28.9%, 8.6%, 68.4%, and 78.1%, respectively. Inhibition percentage of OTA production by in grapes treated with capsaicin was estimated at 61.5%. These results suggest that capsaicin influences the OTA biosynthesis pathway of all section strains and therefore could be used as an effective natural preservative against OTA contamination of vineyards. Risk assessment revealed that when grapes are treated with capsaicin, consumers are less exposed to OTA.
View Article and Find Full Text PDF

Download full-text PDF

Source
http://dx.doi.org/10.1080/19440049.2019.1652771DOI Listing
November 2019

Development and Validation of a UPLC-ESI(-)-MS/MS Methodology for the Simultaneous Quantification of Hesperidin, Naringin, and their Aglycones in Chicken Tissue Samples.

J AOAC Int 2020 Jan;103(1):83-88

National and Kapodistrian University of Athens, School of Health Sciences, Faculty of Pharmacy, Department of Pharmaceutical Chemistry, Panepistimiopolis, 15771 Athens, Greece.

Background: The dietary supplementation of livestock with antioxidants to improve the meat quality represents an active research area of high commercial impact. In order to investigate the optimal dosing, analytical methodologies need to be developed in various tissues to evaluate which concentration does remain in the tissue.

Objective: We aimed to develop and validate a sensitive and specific methodology for the simultaneous quantitative determination of hesperidin, naringin, hesperetin, and naringenin in chicken tissue samples employing ultra-performance LC-tandem MS.

Methods: Lipid extraction using cold chloroform was performed followed by protein precipitation by cold acetone. Chromatography was performed on a C18 column using a ternary gradient of water, acetonitrile, and isopropanol-acetonitrile-acetone (58+40+2, v/v) as the mobile phase. Detection was performed by electrospray ionization in negative ion mode with the selected reaction monitoring technique.

Results: Calibration plots exhibited good linearity (r2 > 0.99) over the concentration range from 0.125 to 25 μg/g tissue for the four analytes, and the lower LOQ for the four analytes was 0.125 μg/g tissue. The repeatability as percent relative SD and precision as percent accuracy were <20 and >80%, respectively.

Conclusions: The developed methodology was applied for the quantitative determination of hesperidin, naringin, hesperetin, and naringenin in tissue samples after dietary supplementation with 1.5 g/kg hesperidin and 1.5 g/kg naringin in Ross 308 broiler chickens.

Highlights: This is the first methodology to access naringin, naringenin, hesperidin, and hesperetin in chicken tissue. It involved simple sample preparation, and the mass spectrometry based detection ensures high specificity and sensitivity.
View Article and Find Full Text PDF

Download full-text PDF

Source
http://dx.doi.org/10.5740/jaoacint.18-0408DOI Listing
January 2020

Design of Linear and Cyclic Mutant Analogues of Dirucotide Peptide (MBP) against Multiple Sclerosis: Conformational and Binding Studies to MHC Class II.

Brain Sci 2018 Dec 4;8(12). Epub 2018 Dec 4.

Department of Chemistry, University of Patras, 26500 Patras, Greece.

Background: Multiple sclerosis (MS) is an autoimmune disorder of the central nervous system. MS is a T cell-mediated disease characterized by the proliferation, infiltration, and attack of the myelin sheath by immune cells. Previous studies have shown that cyclization provides molecules with strict conformation that could modulate the immune system.

Methods: In this study, we synthesized peptide analogues derived from the myelin basic protein (MBP) encephalitogenic sequence (dirucotide), the linear altered peptide ligand MBP (Ala), and their cyclic counterparts.

Results: The synthesized peptides were evaluated for their binding to human leukocyte antigen (HLA)-DR2 and HLA-DR4 alleles, with cyclic MBP being a strong binder with the HLA-DR2 allele and having lower affinity binding to the HLA-DR4 allele. In a further step, conformational analyses were performed using NMR spectroscopy in solution to describe the conformational space occupied by the functional amino acids of both linear and cyclic peptide analogues. This structural data, in combination with crystallographic data, were used to study the molecular basis of their interaction with HLA-DR2 and HLA-DR4 alleles.

Conclusion: The cyclic and APL analogues of dirucotide are promising leads that should be further evaluated for their ability to alter T cell responses for therapeutic benefit against MS.
View Article and Find Full Text PDF

Download full-text PDF

Source
http://dx.doi.org/10.3390/brainsci8120213DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6316436PMC
December 2018

Discovery of New non-steroidal selective glucocorticoid receptor agonists.

J Steroid Biochem Mol Biol 2019 02 12;186:142-153. Epub 2018 Oct 12.

Institute of Biology, Medicinal Chemistry and Biotechnology, National Hellenic Research Foundation, 48 Vassileos Constantinou Ave., 116 35 Athens, Greece. Electronic address:

Glucocorticoids (GCs) are widely used as potent anti-inflammatory drugs; however, GC therapy is often accompanied by adverse side effects. The anti-inflammatory action of GCs is exerted through the glucocorticoid receptor (GR) in part by antagonizing the pro-inflammatory nuclear factor k B (NF-kB) whereas the majority of side effects are assumed to be mediated by transactivation of GR target genes. We set out to identify novel non-steroidal selective GR agonists (SEGRA) favoring transrepression of NF-kB target genes over transactivation of genes associated with undesirable effects. Our virtual screening protocol was driven by a pharmacophore model based on a pyrrolidinone amide analogue (named as 'compound 12' in Biggadike et al 2009, PNAS USA 106, 18,114) bound to the extended binding pocket of the GR ligand binding domain (GR-LBD). Ambinter library (7.8 million compounds) was queried by our validated pharmacophore hypothesis and the prioritized compounds were biologically evaluated using a series of well-established screening assays. Two structurally similar hits (1 and 13) were identified that bind to GR, induce its translocation to the nucleus, do not mediate transactivation of GR target genes whereas partially repress a number of pro-inflammatory NF-kB target genes, in a GR-dependent manner. Explanatory molecular dynamics (MD) calculations could detail the per-residue interactions accounting for the binding of 1 and 13 to the extended binding pocket of GR. The discovered 1,3-benzothiazole analogs introduce a new class of genuine SEGRA paving the way for hit-to-lead optimization.
View Article and Find Full Text PDF

Download full-text PDF

Source
http://dx.doi.org/10.1016/j.jsbmb.2018.10.007DOI Listing
February 2019

On the Characterization and Correlation of Compositional, Antioxidant and Colour Profile of Common and Balsamic Vinegars.

Antioxidants (Basel) 2018 Oct 11;7(10). Epub 2018 Oct 11.

Laboratory of Chemistry, Analysis & Design of Food Processes, Department of Food Science and Technology, University of West Attica, Ag. Spyridonos, 12243 Egaleo, Greece.

Commercially available common and balsamic vinegars were examined, using a combination of spectrophotometric, chromatographic, colorimetric and spectroscopic methods. Total phenolic content, antioxidant activity, radical scavenging capacity, phenolic profile, colour parameters, Fourier Transform Infrared (FT-IR) absorbance spectra and Nuclear Magnetic Resonance (¹H NMR) spectra were comparatively studied. The main scope was the assessment of vinegar antioxidant and metabolic profiles and the identification of the most appropriate features influencing their type and subtypes. Red grape balsamic vinegars exhibited the strongest antioxidant profile. High total phenolic content and radical scavenging-antioxidant activity of vinegars was strongly correlated with high hue-angle and colour density values and low lightness and a* values. FT-IR spectra analysis confirmed the presence of organic acids and carbohydrates and, in combination with Gas Chromatography-Mass Spectrometry (GC-MS), the occurrence of phenolic compounds. NMR spectroscopy enabled the identification of 27 characteristic metabolites in each type of vinegar. The combination of all applied techniques provides critical information on compositional differences among the vinegars and could serve as an application tool for similar fermentation products.
View Article and Find Full Text PDF

Download full-text PDF

Source
http://dx.doi.org/10.3390/antiox7100139DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6210356PMC
October 2018

Optimization of Polyphenol Extraction from var. through Response Surface Methodology.

Foods 2018 Oct 2;7(10). Epub 2018 Oct 2.

Laboratory of Chemistry, Analysis & Design of Food Processes, Department of Food Science and Technology, University of West Attica, Ag. Spyridonos, 12243 Egaleo, Greece.

var. has been recognized as a rich source of secondary metabolites, including phenolic acids, flavonoids and flavonoid polymers (proanthocyanidins or condensed tannins), with related health benefits. Both parts of var. (white bulb and pseudostem) are traditionally consumed either as a vegetable or as a condiment in many Mediterranean countries. The aim of the present study was to optimize the extraction conditions of polyphenols from white leek stem and green leek leaf by implementing a Box-Behnken design (BBD). The optimization considered basic factors affecting extraction efficiency, including extraction time, solvent to plant material ratio and solvent mixture composition. Maximum polyphenol yield was achieved at an extraction time of 80 and 100 min for white leek stem and green leek leaf extracts respectively, solvent to plant material ratio of 5:1 () and methanol to water ratio of 40:60 (), for both leek extracts. Interestingly, higher total phenolic content was found in green leek leaf extracts compared to white leek stem extracts, due to a possible relationship between polyphenol production and sunlight radiation. High correlation values were also observed between total phenolic content and antioxidant-antiradical activity of optimized leek extracts.
View Article and Find Full Text PDF

Download full-text PDF

Source
http://dx.doi.org/10.3390/foods7100162DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6210640PMC
October 2018

Quality Assessment of Pork and Turkey Hams Using FT-IR Spectroscopy, Colorimetric, and Image Analysis.

Foods 2018 Sep 15;7(9). Epub 2018 Sep 15.

Institute of Biology, Medicinal Chemistry and Biotechnology, National Hellenic Research Foundation, 48, Vas. Constantinou Ave., 11635 Athens, Greece.

The implementation of fast and nondestructive methods in meat products and colds cuts have become increasingly important to evaluate their quality in relation to different factors such as origin, type of processing, freshness, adulteration, and authenticity. In this study, Fourier Transform Infrared Spectroscopy (FT-IR), colorimetric, and image-analysis methods were implemented to characterize and classify ham cold cuts in terms of meat type, processing, and shelf life during refrigerated storage. Two types of commercial hams (made from pork and turkey) and three types of processing (boiled, smoked, and roasted) were selected. By using the most appropriate color parameters, a*, h, and C*, as well as the textural features' angular second moment, long-running emphasis, and standard deviation of image intensity from the hams' images, high-classification values for the different ham samples were achieved. The FT-IR analysis revealed the presence of absorbance bands of proteins, triglycerides, fatty acids, and carbohydrates with different intensities according to meat type and processing. Refrigeration storage caused significant alterations of color parameters and a partial degradation of triglycerides and proteins. Moreover, the image-analysis findings indicated that storage period caused significant degradation of ham images relating to local linearity, and structural and textural continuum.
View Article and Find Full Text PDF

Download full-text PDF

Source
http://dx.doi.org/10.3390/foods7090152DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6165448PMC
September 2018

Macular carotenoids in lipid food matrices: DOE-based high energy extraction of egg yolk xanthophylls and quantification through a validated APCI(+) LC-MS/MS method.

J Chromatogr B Analyt Technol Biomed Life Sci 2018 Oct 20;1096:160-171. Epub 2018 Aug 20.

Institute of Biology, Medicinal Chemistry & Biotechnology, National Hellenic Research Foundation, 48, Vas. Constantinou Ave., 11635 Athens, Greece. Electronic address:

Lutein and zeaxanthin exhibit significant biological activities therefore their dietary intake through carotenoid-rich foods and supplements is strongly recommended as preventive approach. Hence their extraction from natural substrates targets to their commercial exploitation as nutraceuticals and ocular pharmaceuticals. Since carotenoids' bioavailability is higher in fat-containing substrates, egg yolk is considered an ideal food matrix. DOE-based optimization of novel high energy extraction practices achieves efficient recovery of xanthophylls from lipid sources. In this research, 2 full factorial and Box-Behnken designs (BBD) were applied for optimizing ultrasound- (UAE) and microwave-assisted extraction (MAE) variables (i.e. extraction solvent, temperature, time, US or MW power and solvent/material ratio). LC-MS/MS results pointed out the precedence of UAE in lutein and zeaxanthin extraction, where higher yields were obtained with 1:1 n-hexane-acetone as solvent mixture at 19 min, 600 W and 35 mL g. UAE carotenoid content was higher than MAE due to the different mechanisms laying behind the two processes and due to more complete granule rupture caused by higher US power. Evaluating the current results, DOE-based UAE analytical methodology stands out as an auspicious and sustainable alternative for commercial-based extraction of lipidic bioactive compounds for food and drug industrial applications.
View Article and Find Full Text PDF

Download full-text PDF

Source
http://dx.doi.org/10.1016/j.jchromb.2018.08.010DOI Listing
October 2018

New -(2-phenyl-4-oxo-1,3-thiazolidin-3-yl)-1,2-benzothiazole-3-carboxamides and acetamides as antimicrobial agents.

Medchemcomm 2017 Nov 3;8(11):2142-2154. Epub 2017 Nov 3.

Mycological Laboratory , Department of Plant Physiology , Institute for Biological Research , Siniša Stanković , University of Belgrade , Bulevar , Serbia.

A series of 21 novel -[2-phenyl-4-oxo-1,3-thiazolidin-3-yl]-1,2-benzothiazole-3-carboxamides/acetamides () as well as a series of '-(halophenylmethylidene)-1,2-benzothiazole-3-acetohydrazides () have been synthesized and evaluated for their antimicrobial activity against eight bacterial and eight fungal species, among them plant, animal and human pathogens and food contaminating species. All compounds appeared to be potent and the best activity was exhibited by compound with MIC in the range of 10.7-21.4 μmol mL × 10 and MBC of 21.4-40.2 μmol mL × 10. The best antifungal activity was observed for compounds and . Elucidation of the relationship between the antimicrobial activity and molecular properties of the synthesized compounds was also performed. Synthetic intermediates were also tested with several exhibiting good antimicrobial activities. Docking studies for some compounds were performed.
View Article and Find Full Text PDF

Download full-text PDF

Source
http://dx.doi.org/10.1039/c7md00334jDOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6071800PMC
November 2017

UHPLC-HRMS-based tissue untargeted metabolomics study of naringin and hesperidin after dietary supplementation in chickens.

Food Chem 2018 Dec 2;269:276-285. Epub 2018 Jul 2.

Department of Pharmaceutical Chemistry, Faculty of Pharmacy, School of Health Sciences, National and Kapodistrian University of Athens, Panepistimiopolis, 15771 Athens, Greece. Electronic address:

To date numerous metabolomic studies have been performed in order to characterize nutritional intervention studies. The aim of the current study was to present a comprehensive pipeline for characterizing the metabolic changes that occur in chickens tissues in response to naringin and hesperidin dietary supplementation. Forty-nine chickens were randomly divided into 3 groups: the first one fed with diet supplemented with naringin, the second with hesperidin whereas the control group was fed by commercial basal diet. After 30 days of administration chicken muscle samples were analyzed by UHPLC-HRMS whereas data were analyzed by the proposed pipeline. Three significant variables were detected to discriminate the control from the group after naringin administration and thirteen variables after hesperidin supplementation. Furthermore, a more detailed pipeline (encompassing multiple internal standards, internal validation of the clustering, extended statistical significance scores and multiple identification procedures) has been proposed aiming towards a more accurate untargeted analysis.
View Article and Find Full Text PDF

Download full-text PDF

Source
http://dx.doi.org/10.1016/j.foodchem.2018.06.146DOI Listing
December 2018

Evaluating the experimental cultivation of peppers in low-energy-demand greenhouses. An interdisciplinary study.

J Sci Food Agric 2019 Jan 27;99(2):781-789. Epub 2018 Aug 27.

Institute of Biology, Medicinal Chemistry and Biotechnology, National Hellenic Research Foundation, 48 Vas. Constantinou Ave., Athens, Greece.

Background: Photovoltaics (PV) provide an alternative solution to cover energy demands in greenhouses. This study evaluates the effect of PV panels installed on the roofs of greenhouses, and the partial shading that they cause, on the growth parameters and growth indicators of the experimental cultivation of peppers (Capsicum annuum cv. California Wonder). The growth of the plants, the antioxidant profile, radical scavenging activity, total phenolic content, and the phenolic and metabolic profiles (using LC-MS spectrometry and NMR spectroscopy) are evaluated.

Results: Data are presented from a full cultivation period. Results indicated that indoor temperatures were similar for both glass and glass-PV (glass with PV panels installed) greenhouses during the day and the night. The production yield was higher for the glass-PV greenhouses. The pepper fruits' weight, dimensions, and thickness were similar in both cases. Comparison of the pepper fruit extracts in terms of total phenolic content, antioxidant, and antiradical activities indicated differences that were not statistically significant. Photometric and spectroscopic studies both showed a smaller distribution of values in the case of the glass-PV greenhouse, probably indicating a more consistent phytochemical profile.

Conclusion: Covering only a small proportion (ca. 20%) of the greenhouse roof with photovoltaic panels contributes considerably to its energy demands without affecting plant growth and quality. © 2018 Society of Chemical Industry.
View Article and Find Full Text PDF

Download full-text PDF

Source
http://dx.doi.org/10.1002/jsfa.9246DOI Listing
January 2019

Physicochemical interactions between rice starch and caffeic acid during boiling.

Food Res Int 2018 07 30;109:589-595. Epub 2018 Apr 30.

Laboratory of Chemistry - Biochemistry - Physical Chemistry of Foods, Department of Nutrition & Dietetics, Harokopion University, 70 El. Venizelou Ave., Kallithea, 17671 Athens, Greece. Electronic address:

Defining the physicochemical interactions that may occur during fortification of starchy foods may be of great importance in food science. In this study, DSC and H NMR techniques were acquired in order to examine the potential interactions between rice starch and caffeic acid, after following a hydrothermal treatment that may be used for rice fortification applications. According to DSC studies, significant changes were observed in starch thermal characteristics depending on the amount of caffeic acid added in starch-water mixture prior to heating. These changes could be attributed to the phenolic acid being probably embedded into starch-water matrix during heating and this may have altered its thermal properties and stability. Moreover, NMR studies of hydrothermally treated samples containing rice starch or caffeic acid and their mixtures showed a possible interaction of rice starch polysaccharides through H-bond formation with the phenolic acid.
View Article and Find Full Text PDF

Download full-text PDF

Source
http://dx.doi.org/10.1016/j.foodres.2018.04.062DOI Listing
July 2018

H NMR-based metabolomics reveals the effect of maternal habitual dietary patterns on human amniotic fluid profile.

Sci Rep 2018 03 6;8(1):4076. Epub 2018 Mar 6.

Department of Food Science and Technology, School of Agriculture, Aristotle University of Thessaloniki, Thessaloniki, Greece.

Maternal diet may influence offspring's health, even within well-nourished populations. Amniotic fluid (AF) provides a rational compartment for studies on fetal metabolism. Evidence in animal models indicates that maternal diet affects AF metabolic profile; however, data from human studies are scarce. Therefore, we have explored whether AF content may be influenced by maternal diet, using a validated food-frequency questionnaire and implementing NMR-based metabolomics. Sixty-five AF specimens, from women undergoing second-trimester amniocentesis for prenatal diagnosis, were analysed. Complementary, maternal serum and urine samples were profiled. Hierarchical cluster analysis identified 2 dietary patterns, cluster 1 (C1, n = 33) and cluster 2 (C2, n = 32). C1 was characterized by significantly higher percentages of energy derived from refined cereals, yellow cheese, red meat, poultry, and "ready-to-eat" foods, while C2 by higher (P < 0.05) whole cereals, vegetables, fruits, legumes, and nuts. H NMR spectra allowed the identification of metabolites associated with these dietary patterns; glucose, alanine, tyrosine, valine, citrate, cis-acotinate, and formate were the key discriminatory metabolites elevated in C1 AF specimens. This is the first evidence to suggest that the composition of AF is influenced by maternal habitual dietary patterns. Our results highlight the need to broaden the knowledge on the importance of maternal nutrition during pregnancy.
View Article and Find Full Text PDF

Download full-text PDF

Source
http://dx.doi.org/10.1038/s41598-018-22230-yDOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5840288PMC
March 2018