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    Benzenesulfonamide based 1,3,4-oxadiazole derivatives: synthesis, pharmacokinetic property prediction, bovine carbonic anhydrase activity and molecular docking studies
    (Taylor & Francis Ltd, 2024) Alpinar, E.; Kaya, M. O.; Gulec, O.; Demirci, T.; Kaya, Y.; Arslan, M.
    Sulphur-containing compounds are highly significant as they can possess a variety of biological activities that make them useful for pharmacological purposes and for the mechanism by which drugs such as antibiotics bind to and disrupt bacterial cell walls. In this study, novel thioalkyl substituted-1,3,4 oxadiazole-bearing sulfonamide compounds have been successfully synthesized and characterized by (HNMR)-H-1, (CNMR)-C-13, IR and elemental analysis. The effects of different thioalkyl groups on the 1,3,4 oxadiazole group, the IC(5)0 value for Bovine Carbonic Anhydrase (BCA) found by in vitro, density functional theory (DFT) calculations, pharmacokinetics prediction and molecular docking are aimed to reveal the interactions on BCA. Firstly, pharmacokinetic predictions of thioalkyl substituted 1,3,4-oxadiazole compounds were generated to predict their potential hazards. Secondly, the predicted molecular docking data and 2D interaction were analyzed based on the best configuration from DFT optimization. Finally, the inhibition against BCA was analyzed in vitro and compared with the theoretical data. The compound (5o) has the best value such as IC50 = 51.80 mu M, HOMO-LUMO (Delta E 4.488 Ev), Delta G -7.69 kcal/mol, Full fitness -2152.72 FF and predicted toxicity results showed no significant results except hepatotoxicity. [GRAPHICAL ABSTRACT]
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    Reactions of spring wheat varieties to common bunt (Tilletia laevis) in Turkey
    (Springer Heidelberg, 2020) Aydogdu, M.; Kaya, Y.
    Tilletia laevis, common bunt fungus, causes substantial yield and quality losses by forming systemic infection in wheat if seed treatment with fungicides is not practiced. Considering cost and side effects of the chemicals on human and environment, using resistant/tolerant wheat varieties seems to be a sensible approach in the management of common bunt. It is particularly crucial in organic farming. The aim of the study was to examine reactions of registered spring wheat varieties to common bunt, T. laevis. In this respect, a total of 31 spring wheat varieties were tested using artificial inoculations of T. laevis. The experiment was set up using a completely randomized design with three replications in the greenhouse. Agronomic characteristics (plant height, spike length, grain weight and root dry weight) of the plants in inoculated plots were compared with the control (non-inoculated) plants. Depending on variety, T. laevis led to significant (P < 0.01) reductions in all the examined agronomic characteristics. Mean reductions in plant height, spike length, grain weight and root dry weight of all the varieties were 6.47, 6.35, 65.04 and 37.19%, respectively. The highest reductions in plant height (17.84%), spike length (15.31%), grain weight (92.82%) and root dry weight (65.80%) were detected in varieties Seri-2013, Yuregir-89, Kale and Adana-99, respectively. Infection rates ranged from 13.88 to 94.65% among the varieties. As a result, 77.41% of the varieties were very susceptible. Neither resistant nor moderately resistant reaction type to the fungus was found, indicating vulnerability of the spring wheat varieties.