Bioinformatical and<i>in vitro</i>approaches to essential oil-induced matrix metalloproteinase inhibition

Zeidán-Chuliá, Fares; Gürsoy, Mervi; Könönen, Eija; Uitto, Veli‐Jukka; Gursoy, Orhan Vedat; Çakmakçı, Lütfü; Moreira, José Cláudio Fonseca; Gürsoy, Ulvi Kahraman

doi:10.3109/13880209.2012.677847

Cited by 25 publications

(14 citation statements)

References 56 publications

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“…Targeting essential nodes with high centrality values can considerably disrupt the whole network integrity. Moreover, high stress value for a given node can be an indicator of relevance of a protein/compound within a biological network, and it is commonly used tool in computational biology-based studies [31, 32]. …”

Section: Resultsmentioning

confidence: 99%

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Major Components of Energy Drinks (Caffeine, Taurine, and Guarana) Exert Cytotoxic Effects on Human Neuronal SH-SY5Y Cells by Decreasing Reactive Oxygen Species Production

Zeidán-Chuliá

Gelain

Kolling

et al. 2013

Oxidative Medicine and Cellular Longevity

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Scope. To elucidate the morphological and biochemical in vitro effects exerted by caffeine, taurine, and guarana, alone or in combination, since they are major components in energy drinks (EDs). Methods and Results. On human neuronal SH-SY5Y cells, caffeine (0.125–2 mg/mL), taurine (1–16 mg/mL), and guarana (3.125–50 mg/mL) showed concentration-dependent nonenzymatic antioxidant potential, decreased the basal levels of free radical generation, and reduced both superoxide dismutase (SOD) and catalase (CAT) activities, especially when combined together. However, guarana-treated cells developed signs of neurite degeneration in the form of swellings at various segments in a beaded or pearl chain-like appearance and fragmentation of such neurites at concentrations ranging from 12.5 to 50 mg/mL. Swellings, but not neuritic fragmentation, were detected when cells were treated with 0.5 mg/mL (or higher doses) of caffeine, concentrations that are present in EDs. Cells treated with guarana also showed qualitative signs of apoptosis, including membrane blebbing, cell shrinkage, and cleaved caspase-3 positivity. Flow cytometric analysis confirmed that cells treated with 12.5–50 mg/mL of guarana and its combinations with caffeine and/or taurine underwent apoptosis. Conclusion. Excessive removal of intracellular reactive oxygen species, to nonphysiological levels (or “antioxidative stress”), could be a cause of in vitro toxicity induced by these drugs.

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Section: Resultsmentioning

confidence: 99%

“…Nowadays, systems biology/pharmacology/toxicology offers a number of computational tools that allow researchers to work with large amounts of experimental knowledge and databases for elaborating simulations or supporting hypotheses, that can be later confirmed in other models (e.g., in vivo or in vitro ) [11, 31, 58, 59]. …”

Section: Discussionmentioning

confidence: 99%

Major Components of Energy Drinks (Caffeine, Taurine, and Guarana) Exert Cytotoxic Effects on Human Neuronal SH-SY5Y Cells by Decreasing Reactive Oxygen Species Production

Zeidán-Chuliá

Gelain

Kolling

et al. 2013

Oxidative Medicine and Cellular Longevity

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“…Dermatomycoses are common infections caused by filamentous fungi, especially dermatophytes and yeasts that can be severe in immunocompromised patients. Although Myrtle essential oil has a long history of use as food preservative and in traditional medicine very little information is available about its safety, with some studies concerning M. communis (Nassar et al, 2010;Uehleke and Brinkschulte-Freitas, 1979;Zeidán-Chuliá et al, 2012) and Myrtus nivellei (Bouzabata et al, 2013b), and some studies of other species of Myrtaceae, such as Backhousia citriodora, commonly known as lemon myrtle Markovic, 2002, 2003). Indeed, there is a lack of studies addressing the potential cytotoxicity of Myrtle essential oil in mammalian cells, namely alveolar epithelial cells, keratinocytes and hepatocytes.…”

Section: Introductionmentioning

confidence: 98%

Myrtus communis L. as source of a bioactive and safe essential oil

Bouzabata

Cabral

Gonçalves

et al. 2015

Food and Chemical Toxicology

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“…With the use of these methods, new insights are being gained into maternal metabolism during pregnancy and its relationship to outcomes at birth and in childhood (Lowe and Karban, 2014). In silico modeling and gene expression analyses have become an integral part of life sciences by guiding the researchers towards the selection of the most relevant targets, as well as protein-protein and compoundprotein interactions in the context of any disease (i.e., approaches that our study group has successfully applied) (Zeidán-Chuliá et al, 2012;2013a;2013b;2013c;2014). By using in silico approaches, it is possible to generate a model of interactions based on experimental data, giving rise to new hypotheses that could be later tested with wet laboratory experiments.…”

Section: Introductionmentioning

confidence: 99%

Pregnancy-Induced Gingivitis and OMICS in Dentistry: In Silico Modeling and in Vivo Prospective Validation of Estradiol-Modulated Inflammatory Biomarkers

Gürsoy

Zeidán-Chuliá

Könönen

et al. 2014

OMICS: A Journal of Integrative Biology

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Pregnancy-associated gingivitis is a bacterial-induced inflammatory disease with a remarkably high prevalence ranging from 35% to 100% across studies. Yet little is known about the attendant mechanisms or diagnostic biomarkers that can help predict individual susceptibility for rational personalized medicine. We aimed to define inflammatory proteins in saliva, induced or inhibited by estradiol, as early diagnostic biomarkers or target proteins in relation to pregnancy-associated gingivitis. An in silico gene/protein interaction network model was developed by using the STITCH 3.1 with "experiments" and "databases" as input options and a confidence score of 0.700 (high confidence). Salivary estradiol, interleukin (IL)-1β and -8, myeloperoxidase (MPO), matrix metalloproteinase (MMP)-2, -8, and -9, and tissue inhibitor of matrix metalloproteinase (TIMP)-1 levels from 30 women were measured prospectively three times during pregnancy and twice during postpartum. In silico analysis revealed that estradiol interacts with IL-1β and -8 by an activation link when the "actions view" was consulted. In saliva, estradiol concentrations associated positively with TIMP-1 and negatively with MPO and MMP-8 concentrations. When the gingival bleeding on probing percentage (BOP%) was included in the model as an effect modifier, the only association, a negative one, was found between estradiol and MMP-8. Throughout gestation, estradiol modulates the inflammatory response by inhibiting neutrophilic enzymes, such as MMP-8. The interactions between salivary degradative enzymes and proinflammatory cytokines during pregnancy suggest promising ways to identify candidate biomarkers for pregnancy-associated gingivitis, and for personalized medicine in the field of dentistry. Finally, we call for greater investments in, and action for biomarker research in periodontology and dentistry that have surprisingly lagged behind in personalized medicine compared to other fields, such as cancer research.

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Bioinformatical andin vitroapproaches to essential oil-induced matrix metalloproteinase inhibition

Cited by 25 publications

References 56 publications

Major Components of Energy Drinks (Caffeine, Taurine, and Guarana) Exert Cytotoxic Effects on Human Neuronal SH-SY5Y Cells by Decreasing Reactive Oxygen Species Production

Major Components of Energy Drinks (Caffeine, Taurine, and Guarana) Exert Cytotoxic Effects on Human Neuronal SH-SY5Y Cells by Decreasing Reactive Oxygen Species Production

Myrtus communis L. as source of a bioactive and safe essential oil

Pregnancy-Induced Gingivitis and OMICS in Dentistry: In Silico Modeling and in Vivo Prospective Validation of Estradiol-Modulated Inflammatory Biomarkers

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