Interuniversity Consortium of Structural and Systems Biology

Rome, Italy

Interuniversity Consortium of Structural and Systems Biology

Rome, Italy

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Uysal A.,Selcuk University | Zengin G.,Selcuk University | Mollica A.,University of Chieti Pescara | Gunes E.,Selcuk University | And 4 more authors.
Phytomedicine | Year: 2016

Background The Cotoneaster species are widely used as traditional purposes in different countries including Turkey. Purpose The study was performed to evaluate the biological and chemical profile of two extracts (methanol (T-Me; F-Me) and water (T-W; F-W)) from two parts (twigs and fruits) of Cotoneaster integerrimus. Materials and methods Antioxidant (free radical scavenging (DPPH), reducing power (CUPRAC and FRAP), phosphomolybdenum and metal chelating), enzyme inhibitory (cholinesterase, tyrosinase, α-amylase and α-glucosidase), antimicrobial (standard microorganisms and methicillin-resistant Staphylococcus aureus isolates (MRSA)) and mutagenic/antimutagenic effects (by Ames assay) were tested for biological profile. For chemical profile, total and individual phenolic components were detected for each extract. Results Generally, T-Me reflected the strongest biological effects with the highest level of phenolics (115. 15 mgGAEs/g extract). Also, twig extracts had more potent biological effects as compared to flower extracts. Eight-teen phenolics were identified in the extracts. (-)- epicatechin was the major constituent in all extracts and is mainly responsible for biological activities observed. Its amount present in F-W and T-W were 9.27 and 32.89 mg/g extract, respectively. Also, molecular docking was used to understand enzyme-epicatechin interactions. Conclusion From these results, this plant has a great potential as a health promoter for developing novel functional food ingredients and pharmaceutical preparations. © 2016 Elsevier GmbH


Zengin G.,Selcuk University | Nithiyanantham S.,Tierra Seed Science Private Ltd | Locatelli M.,University of Chieti Pescara | Locatelli M.,Interuniversity Consortium of Structural and Systems Biology | And 5 more authors.
European Journal of Integrative Medicine | Year: 2016

Introduction: The importance of plants products in traditional medicine has been recognized for some time. Two plants of Turkish origin, Centranthus longiflorus subsp. longiflorus and Cerinthe minor subsp. auriculata used as traditional Turkish medicine have remained uninvestigated for Alzheimer diseases and diabetes mellitus for their in vitro biological activity despite their use for sleep disorders.The antioxidant and enzyme inhibitory properties of these plants have not been reported. The aim of this study was to determine the total phenolics, flavonoids, and antioxidant as well as their enzyme inhibitory activity (in aqueous and solvent extracts). Methods: Antioxidant assays used standard methods to assess phosphomolybdenum, free radical scavenging activity, reducing power, and metal chelating activity on ferrous ions. Additionally, the extracts were tested also for enzyme inhibitory activity (Cholinesterase, Tyrosinase, α-amylase, and α-glucosidase). Results: Organic extracts showed the highest anti-cholinesterase (AChE, and BChE) activity, while aqueous extracts showed valuable Tyrosinase inhibitory activity. Total phenolics (expressed as gallic acid equivalents) in C. longiflorus subsp. longiflorus and C. minor subsp. auriculata were 46.2 and 25.4. mg in methanolic extracts, 27.5 and 26.2. mg in ethyl acetate extracts, and 37.9 and 46.6. mg in aqueous extracts, respectively. Similarly, total flavonoids (expressed as rutin equivalents) in C. longiflorus subsp. longiflorus and C. minor subsp. auriculata were 39.9 and 27.8. mg in methanolic extracts, 17.6 and 52.4. mg in ethyl acetate extracts, and 24.35 and 24.6. mg in aqueous extracts, respectively. Conclusion: The reported results may be valuable for preparing new food supplements and can represent a good model for the development of new drug formulations. © 2015 Elsevier GmbH.


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.


Locatelli M.,University of Chieti Pescara | Locatelli M.,Interuniversity Consortium of Structural and Systems Biology | Cifelli R.,University of Chieti Pescara | Di Legge C.,University of Chieti Pescara | And 8 more authors.
Journal of Chromatography A | Year: 2015

This paper reports the validation of a quantitative high performance liquid chromatography-photodiode array (HPLC-PDA) method for the simultaneous analysis, in mouse plasma, of eperisone hydrochloride and paracetamol by protein precipitation using zinc sulphate-methanol-acetonitrile. The analytes were resolved on a Gemini C18 column (4.6mm×250mm; 5μm particle size) using a gradient elution mode with a run time of 15min, comprising re-equilibration, at 60°C (±1°C). The method was validated over the concentration range from 0.5 to 25μg/mL for eperisone hydrochloride and paracetamol, in mouse plasma. Ciprofloxacin was used as Internal Standard. Results from assay validations show that the method is selective, sensitive and robust. The limit of quantification of the method was 0.5μg/mL for eperisone hydrochloride and paracetamol, and matrix-matched standard curves showed a good linearity, up to 25μg/mL with correlation coefficients (r2)≥0.9891. In the entire analytical range the intra and inter-day precision (RSD%) values were ≤1.15% and ≤1.46% for eperisone hydrochloride, and ≤0.35% and ≤1.65% for paracetamol. For both analytes the intra and inter-day trueness (bias%) values ranged, respectively, from -5.33% to 4.00% and from -11.4% to -4.00%. The method was successfully tested in pharmacokinetic studies after oral administration in mouse. Furthermore, the application of this method results in a significant reduction in terms of animal number, dosage, and improvement in speed, rate of analysis, and quality of pharmacokinetic parameters related to serial blood sampling. © 2015 Elsevier B.V.


Locatelli M.,University of Chieti Pescara | Locatelli M.,Interuniversity Consortium of Structural and Systems Biology | Zengin G.,Selcuk University | Uysal A.,Selcuk University | And 5 more authors.
Journal of Enzyme Inhibition and Medicinal Chemistry | Year: 2016

The current study was carried out to evaluate multicomponent pattern, biological and enzymatic activities of seven Asphodeline taxa root extracts as useful ingredients, due to the fact that these plants are commonly used as traditional food supplements in Turkish regions. The extracts were characterized for free anthraquinones and phenolics to obtain a specific chemical fingerprint useful for quality control. These analyzes were coupled to biological and enzymatic activities in order to obtain comprehensive information of the natural product. Free anthraquinones and phenolics were determined using validated HPLC-PDA methods. Antioxidant properties were determined by different procedures including free radical scavenging, reducing power, phosphomolybdenum and metal chelating assays. Ames assay was performed to evaluate mutagenic/antimutagenic properties. Enzyme inhibitory activities were tested against cholinesterase, tyrosinase, α-amylase and α-glucosidase. From the herein reported results, Asphodeline could be valuable for the production of bioactive products or food supplements for cosmetic and pharmaceutical industries. © 2016 Informa UK Limited, trading as Taylor & Francis Group


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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