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    Centaurea mersinensis phytochemical composition and multi-dimensional bioactivity properties supported by molecular modeling
    (Taylor & Francis Inc, 2024) Yirtici, Umit; Ergene, Aysun; Adem, Sevki; Atalar, Mehmet Nuri; Eyupoglu, Volkan; Rawat, Ravi; Arat, Esra
    Various studies conducted on Centaurea species indicate that the relevant plant is good source of bioactive phytochemicals. In this study, in vitro studies were used to determine bioactivity properties of methanol extract of Centaurea mersinensis - endemic species in Turkey - on extensive basis. Furthermore, the interaction of target molecules, identified for breast cancer and phytochemicals in the extract, was investigated via in silico analyses to support findings received in vitro. Scutellarin, quercimeritrin, chlorogenic acid and baicalin were primary phytochemicals in the extract. Methanol extract and scutellarin had higher cytotoxic effects against MCF-7 (IC50=22.17 mu g/mL, and IC50=8.25 mu M, respectively), compared to other breast cancer cell lines (MDA-MB-231, SKBR-3). The extract had strong antioxidant properties and inhibited target enzymes, especially alpha-amylase (371.69 mg AKE/g extract). The results of molecular docking indicate that main compounds of extract show high-strength bonding to the c-Kit tyrosine among target molecules identified in breast cancer, compared to other target molecules (MMP-2, MMP-9, VEGFR2 kinase, Aurora-A kinase, HER2). The tyrosinase kinase (1T46)-Scutellarin complex showed considerable stability in 150 ns simulation as per MD findings, and it was coherent with optimal docking findings. Docking findings and HOMO-LUMO analysis results corresponds with in vitro experiments. Medicinal properties of phytochemicals, which was determined to be suitable for oral use along with ADMET, were found to be within normal limits except for their polarity properties. In conclusion, in vitro and in silico studies indicated that the relevant plant yields promising results regarding its potential to develop novel and effective medicational products.Communicated by Ramaswamy H. Sarma
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    Cytotoxic and apoptotic effects of endemic Centaurea fenzlii Reichardt on the MCF-7 breast cancer cell line
    (Tubitak Scientific & Technical Research Council Turkey, 2017) Yirtici, Umit; Goger, Fatih; Sarimahmut, Mehmet; Ergene, Aysun
    The main purpose of this study was to analyze the cytotoxic activity of an extract obtained from Centaurea fenzlii Reichardt, and the fractions eluted from this extract, in breast cancer cells. After isolation and structural analysis of the fractions were conducted, a meaningful cytotoxic effect was indicated. The goal of the analysis was to reveal the mechanism by which this effect occurs through researching the apoptotic side of these fractions and determining the amount of several proteins that are the products of the genes. Test substances were applied to breast cancer cells and the inhibitory concentration value 50 (IC50) that caused a cytotoxic effect was determined using MTT and ATP assays. The Centaurea fenzlii Reichardt dichloromethane extracts-ethyl acetate fractions (CFDCM-EAF) exhibited a stronger growth-inhibitory effect on MCF-7 cells (45.771 mu g/mL). The apoptotic effect was studied using double staining and flow cytometry. The death rate in the cells treated with the CFDCM-EAF IC50 dose was approximately 90%: 9.2% living cells, 22.8% necrotic cells, 62.3% late apoptotic cells, and 5.8% early apoptotic cells. Structural analysis of the CFDCM-EAF, which indicated significant cytotoxic effects, was performed using chromatographic methods. Hispidulin was the major component of the CFDCM-EAF by LC-APCI-MS/MS analysis.
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    Genotoxic effects and enzymatic adaptations of Basudin 60 EM in Allium cepa
    (Parlar Scientific Publications (P S P), 2012) Ergene, Aysun; Arslanoglu, Ilhan; Yilmaz, Fadime; Tan, Sema; Yirtici, Umit
    Basudin 60 EM is commonly used in agricultural areas. Genotoxic effects of Basudin 60 EM (diazinon) were evaluated in the root meristem cells of Allium cepa. The roots of the plants were treated with 600, 1200 and 1800 ppm concentrations of Basudin 60 EM. Root tips after having grown to a certain length were stained according to aceto-orcein squash procedure. Metabolic variations in response to Basudin 60 EM toxicity was measured using physiological parameters and antioxidant enzymatic activities. A significant increase in SOD activity was observed in the leaves of Allium cepa, with the majority of Basudin 60 EM treatments. With increasing concentrations of Basudin 60 EM, CAT activity increased in leaves. An increase in the concentration of Basudin 60 EM increased GSH-Px activity in leaves. Basudin 60 EM exposure significantly reduced the carotenoid as well as chlorophyll a and b pigments in all treatment groups. Chromosomal aberrations, mitosis abnormalities, mitotic index and micronucleus assay of applied pesticides on Allium cepa roots were determined. All of the concentrations of Basudin 60 EM used in the present study significantly induced abnormalities, such as C-mitosis, chromosome stickiness, breaks, bridges, laggards, and multipolar cells compared to control. Also, Basudin 60 EM significantly decreased mitotic index for all concentrations.