Interuniversity Consortium of Structural and Systems Biology

Rome, Italy

Interuniversity Consortium of Structural and Systems Biology

Rome, Italy
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Zengin G.,Selcuk University | Uren M.C.,Suleyman Demirel University of Turkey | Kocak M.S.,Suleyman Demirel University of Turkey | Gungor H.,Muǧla University | And 4 more authors.
International Journal of Medicinal Mushrooms | Year: 2017

The antioxidant and inhibitory effects of methanol and aqueous extracts from Hymenogaster aromaticus, Ramaria aurea, and Rhizopogon luteolus against cholinesterase, tyrosinase, α-amylase, and α-glucosidase are reported here, to our knowledge for the first time. Antioxidant activities were investigated using different assays, including 2,2-diphenyl-1-picrylhydrazyl, 2,2′-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid), ferric ion-reducing antioxidant power, cupric ion-reducing antioxidant capacity, phosphomolybdenum, and metal-chelating assays. In general, the highest antioxidant and enzyme-inhibitory effects were observed in methanol extracts, which had the highest concentrations of phenolics. (+)-Catechin, benzoic acid, and p-hydroxybenzoic acid were determined to be the main phenolics in H. aromaticus components both in methanol and in aqueous extracts, whereas the other 2 species present very different phenolic fingerprints, also at smaller quantities. These results suggest that these mushroom species may be considered sources of natural agents. © 2017 Begell House, Inc.

Uysal S.,Selcuk University | Zengin G.,Selcuk University | Locatelli M.,University of Chieti Pescara | Locatelli M.,Interuniversity Consortium of Structural and Systems Biology | And 6 more authors.
Frontiers in Pharmacology | Year: 2017

In this work, the biological and chemical fingerprints of three extracts (ethyl acetate, methanol, and water) from two Potentilla species (Potentilla reptans and P. speciosa) were investigated. Antioxidant, enzyme inhibitory, and cytotoxic activities were performed for the biological fingerprint. For the chemical characterization, total bioactive components, and individual phenolic components were determined using photometric and HPLC methods, respectively. The main identified phenolic compounds in these extracts were rutin and catechin. Methanol and water extracts contained the highest total phenolic and flavonoid content. The results of antioxidant assays showed that methanol and water extracts displayed higher antioxidant activity compared to the ethyl acetate extract. Generally, methanol and water extracts exhibited higher biological activities correlated with higher levels the bioactive components. For P. speciosa, the methanol extract exhibited the highest enzyme inhibitory activity (except BChE inhibitory activity). P. reptans exhibited also high antiproliferative activity against MCF-7 cells whilst P. speciosa had weak to moderate activity against both of A549 and MCF-7 cell lines. The results suggest that Potentilla species could be potential candidates for developing new phyto-pharmaceuticals and functional ingredients. © 2017 Uysal, Zengin, Locatelli, Bahadori, Mocan, Bellagamba, De Luca, Mollica and Aktumsek.

Epifanio I.,University of Chieti Pescara | Genovese S.,University of Chieti Pescara | Carlucci G.,University of Chieti Pescara | Epifano F.,University of Chieti Pescara | And 2 more authors.
Current Bioactive Compounds | Year: 2015

Lipophilicity, expressed quantitatively through the LogP, is the most important physicochemical property for pharmacodynamic and pharmacokinetic characterization of the tested compound, as well as the most widely used parameter for quantitative structure-activity relationships (QSAR) descriptions. For this purpose three analytical techniques: the classical Shake Flask, the innovative Vortex-Assisted Liquid-Liquid Micro-Extraction (VALLME), and HPLC method, have been employed for the LogP determination of naturally occurring oxyprenylated secondary metabolites such as boropinic and geraniloxyferulic (GOFA) acid. These techniques have allowed us to correctly determine the LogP value for model molecule (ferulic acid) and from the comparison, by means of statistical techniques, of the obtained results it was possible to determine, not only for the first time, the LogP value of these secondary metabolites with interesting biological activity, but it was also possible to highlight the potential and limitations of the used techniques respect to the presence of interfering and / or degradation products. © 2015 Bentham Science Publishers.

Locatelli M.,University of Chieti Pescara | Locatelli M.,Interuniversity Consortium of Structural and Systems Biology | Cifelli R.,University of Chieti Pescara | Carlucci G.,University of Chieti Pescara | Romagnoli A.,University of Chieti Pescara
Journal of Enzyme Inhibition and Medicinal Chemistry | Year: 2016

A new and specific HPLC-DAD method for the direct determination of Prulifloxacin and its active metabolite, Ulifloxacin, in human plasma has been developed. Plasma samples were analysed after a simple solid phase extraction (SPE) clean-up using a new HILIC stationary phase based high-performance liquid chromatography (HPLC) column and an ammonium acetate buffer (5 mM, pH 5.8)/acetonitrile (both with 1% Et3N, v/v) mobile phase in isocratic elution mode, with Danofloxacin as the internal standard. Detection was performed using DAD from 200 to 500 nm and quantitative analyses were carried out at 278 nm. The LOQ of the method was 1 μg/mL of the cited analytes and the calibration curve showed a good linearity up to 25 μg/mL. For both analytes the precision (RSD%) and the trueness (bias%) of the method fulfil with International Guidelines. The method was applied for stability studies, at three QC concentration levels, in human plasma samples stored at different temperature of + 25, + 4 and -20 °C in order to evaluate plasma stability profiles. © 2015 Informa UK Ltd.

Locatelli M.,University of Chieti Pescara | Locatelli M.,Interuniversity Consortium of Structural and Systems Biology | Ferrone V.,University of Chieti Pescara | Cifelli R.,University of Chieti Pescara | And 2 more authors.
Journal of Chromatography A | Year: 2014

This paper reports a new MEPS-HPLC-PDA method for the simultaneous analysis of seven non-steroidal anti-inflammatory drugs (Furprofen, Indoprofen, Ketoprofen, Fenbufen, Flurbiprofen, Indomethacin, and Ibuprofen) in human plasma and urine. NSAIDs were resolved on a Gemini C18 column (4.6mm×250mm; 5μm particle size) using a gradient elution mode with a run time of 25min, comprising re-equilibration, without further purification. The method was validated over the concentration range from 0.1 to 10μg/mL for all the analytes both in human plasma and urine, using Benzyl 4-hydroxybenzoate as the internal standards. This method was successfully tested to NSAIDs analyses in real matrices, in order to check the method potentiality and the correct response. The results from assay validations show that the method is selective, sensitive and robust. The limit of quantification of the method was 0.1μg/mL for all analytes, and weighted-matrix-matched standard curves showed a good linearity up to 10μg/mL. In order to check the correct response for over-range samples, parallelism tests were also assessed. In the entire analytical range the intra and inter-day precision (RSD%) values were ≤7.31% and ≤13.5%, respectively. For all the analytes the intra and inter-day trueness (Bias%) values ranged from -11.3% to 10.2%. To our knowledge, this is the first MEPS-HPLC-PDA based method that uses MEPS procedure for simultaneous determination of these seven NSAIDs in plasma and urine samples. © 2014 Elsevier B.V.

Zengin G.,Selcuk University | Locatelli M.,University of Chieti Pescara | Locatelli M.,Interuniversity Consortium of Structural and Systems Biology | Ceylan R.,Selcuk University | Aktumsek A.,Selcuk University
Journal of Enzyme Inhibition and Medicinal Chemistry | Year: 2015

Plant-based foods have become attractive for scientists and food producers. Beneficial effects related to their consumption as dietary supplements are due to the presence of natural occurring secondary metabolites. In this context, studies on these products are important for natural and safely food ingredients evaluation. The aim of this study was to evaluate root extract of eight Asphodeline species as antioxidants, enzyme inhibitors and phytochemical content. Spectrophotometric antioxidant and enzyme inhibitory assays were performed. Total phenolic and flavonoids contents as well as the chemical free-anthraquinones profiles were determined using routinely procedure (HPLC-PDA). Data show that Asphodeline roots can be considered as a new source of natural compounds and can be used as a valuable dietary supplement. Some differences related to biological activities can be inferred to other phytochemicals that can be considered in the future for their synergic or competitive activities. © 2015 Informa UK Ltd. All rights reserved: reproduction in whole or part not permitted

Zengin G.,Selcuk University | Menghini L.,University of Chieti Pescara | Malatesta L.,University of Chieti Pescara | De Luca E.,University of Chieti Pescara | And 5 more authors.
Journal of Enzyme Inhibition and Medicinal Chemistry | Year: 2016

The multicomponent pattern and biological characterization of plant material are essential for pharmaceutical field, in the food supplements quality control procedures and to all plant-based products. These nutrients often show valuable effects related to their consumption due to the occurrence of secondary metabolites that show useful properties on health. In this framework, researches performed on this topic play a central role for human health and drug development process. The aim of this study was to compare phenolics and free anthraquinones multicomponent pattern of two wild Turkish species: Asphodeline anatolica and Potentilla speciosa using validated high-performance liquid chromatography–photogiode array (HPLC–PDA) assays, coupled to biological evaluation. Even if some variances related to biological and enzymatic inhibition activities can be ascribed to other phytochemicals, the reported data support traditional use of Asphodeline anatolica and Potentilla speciosa roots as valuable natural font for the development of novel natural-derived drug formulations and/or food supplements with health and nutritional benefits. © 2016 Informa UK Limited, trading as Taylor & Francis Group.

Pica A.,University of Naples Federico II | Russo Krauss I.,University of Naples Federico II | Merlino A.,University of Naples Federico II | Merlino A.,CNR Institute of Neuroscience | And 6 more authors.
FEBS Journal | Year: 2013

Thrombin plays a pivotal role in the coagulation cascade; therefore, it represents a primary target in the treatment of several blood diseases. The 15-mer DNA oligonucleotide 5′-GGTTGGTGTGGTTGG-3′, known as thrombin binding aptamer (TBA), is a highly potent inhibitor of the enzyme. TBA folds as an antiparallel chair-like G-quadruplex structure, with two G-tetrads surrounded by two TT loops on one side and a TGT loop on the opposite side. Previous crystallographic studies have shown that TBA binds thrombin exosite I by its TT loops, T3T4 and T12T13. In order to get a better understanding of the thrombin-TBA interaction, we have undertaken a crystallographic characterization of the complexes between thrombin and two TBA mutants, TBAΔT3 and TBAΔT12, which lack the nucleobase of T3 and T12, respectively. The structural details of the two complexes show that exosite I is actually split into two regions, which contribute differently to TBA recognition. These results provide the basis for a more rational design of new aptamers with improved therapeutic action. The X-ray structure of two mutants of thrombin binding aptamer (TBA) in complex with their target protein shed new light about the recognition process. The interaction site of thrombin (exosite I) is split into two regions differently contributing to the binding. This result suggests new TBA modifications to improve the aptamer action. © 2013 FEBS.

Cervelli M.,Third University of Rome | Cervelli M.,Interuniversity Consortium of Structural and Systems Biology | Polticelli F.,Third University of Rome | Angelucci E.,Third University of Rome | And 4 more authors.
Amino Acids | Year: 2015

Polyamine oxidases catalyse the oxidation of polyamines and acetylpolyamines and are responsible for the polyamine interconversion metabolism in animal cells. Polyamine oxidases from yeast can oxidize spermine, N 1-acetylspermine, and N 1-acetylspermidine, while in vertebrates two different enzymes, namely spermine oxidase and acetylpolyamine oxidase, specifically catalyse the oxidation of spermine, and N 1-acetylspermine/N 1-acetylspermidine, respectively. In this work we proved that the specialized vertebrate spermine and acetylpolyamine oxidases have arisen from an ancestor invertebrate polyamine oxidase with lower specificity for polyamine substrates, as demonstrated by the enzymatic activity of the mollusc polyamine oxidase characterized here. This is the first report of an invertebrate polyamine oxidase, the Pacific oyster Crassostrea gigas (CgiPAO), overexpressed as a recombinant protein. This enzyme was biochemically characterized and demonstrated to be able to oxidase both N 1-acetylspermine and spermine, albeit with different efficiency. Circular dichroism analysis gave an estimation of the secondary structure content and modelling of the three-dimensional structure of this protein and docking studies highlighted active site features. The availability of this pluripotent enzyme can have applications in crystallographic studies and pharmaceutical biotechnologies, including anticancer therapy as a source of hydrogen peroxide able to induce cancer cell death. © 2015 Springer-Verlag Wien.

Caruso G.,CNR Institute for Coastal Marine Environment | De Pasquale F.,CNR Institute for Coastal Marine Environment | Mita D.G.,CNR Institute of Genetics and Biophysics Adriano Buzzati Traverso | Mita D.G.,Interuniversity Consortium of Structural and Systems Biology | Micale V.,CNR Institute for Coastal Marine Environment
Marine Pollution Bulletin | Year: 2016

During two seasonal trawl surveys (April and October, 2012), red mullet specimens were caught from two sites of the northern Sicilian coast (Western Mediterranean), characterized by different degrees of pollution, to assess whether their digestive enzymes could be cost-effective diagnostic tools for endocrine disruption. Pepsin, chymotrypsin, carboxypeptidases A and B, amylase and lipase were measured in the digestive tract of each fish. During both samplings, significant differences in the digestive enzymatic patterns of fish collected from the two sites were found. In April, pepsin and lipase contents were significantly lower in fish from the most impacted site than in those from the reference site. In October, the enzymatic patterns showed trends different from spring, with controversial results for carboxypeptidases A and B and amylase. Pepsin and lipase patterns suggest a detrimental effect played by organic pollutants and the use of these enzymes as possible biomarkers of exposure to endocrine disruptors. © 2016 Elsevier Ltd.

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