Browsing by Publisher "Wiley-VCH Verlag GmbH"
Now showing items 1-6 of 6
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Blind Dockings of Benzothiazoles to Multiple Receptor Conformations of Triosephosphate Isomerase from Trypanosoma cruzi and Human
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Publisher and Date:(Wiley-VCH Verlag GmbH, 2011)We aim to uncover the binding modes of benzothiazoles which have been reported as specific inhibitors of triosephosphate isomerase from the parasite Trypanosoma cruzi (TcTIM) by performing blind dockings on both TcTIM and human TIM (hTIM). Detailed analysis of binding sites and specific interactions are carried out based on ensemble dockings to multiple receptor conformers obtained from molecular dynamics simulations. In TcTIM dimer dockings the inhibitors preferentially bind to the tunnel-shaped ...
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Critical Exponents of Thermal Phase Transitions of kappa-Carrageenan in Various Salt Solutions
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Publisher and Date:(Wiley-VCH Verlag GmbH, 2009)The steady state fluorescence (SSF) technique was employed to study the phase transitions Of kappa-carrageenan in NaCl and KCl solutions. Pyranine was used as a fluorescence probe for monitoring these transitions. Scattered light I(sc) and fluorescence intensity 1 was monitored against temperature to determine transition temperatures and exponents. It was observed that transition temperatures are strongly correlated with the NaCl and KCl contents. The weight-average degree of polymerization DP(w) ...
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Molecular docking study based on pharmacophore modeling for novel PhosphodiesteraseIV ınhibitors
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Publisher and Date:(Wiley-VCH Verlag GmbH, 2012)In this study pharmacophore modelling was carried out for novel PhosphodiesteraseIV (PDEIV) inhibitors. A pharmacophore-based virtual screening which resulted in 1959 hit compounds was performed with six chemical databases. The pharmacophore screening was proven to be successful in discriminating active and inactive inhibitors using a set of compounds with known activity obtained from ChEMBL database. Furthermore the Lipinskis rule of five was applied for physicochemical filtering of the hit ...
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Oxygen Diffusion into Polymer-Clay Composite Films as a Function of Clay Content and Temperature
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Publisher and Date:(Wiley-VCH Verlag GmbH, 2009)A simple fluorescence technique is proposed for the measurement of the diffusion coefficient of oxygen into polystyrene-clay composite films as a function of clay content and temperature. The composite films were prepared from a mixture of surfactant-free pyrene-labeled polystyrene latexes and modified Na-montmorillonite clay of various compositions at room temperature. Diffusion measurements were performed with films at room temperature for seven different clay contents (0 5 10 20 30 50 and 60 ...
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Synthesis and Screening of Human Monoamine Oxidase-A Inhibitor Effect of New 2-Pyrazoline and Hydrazone Derivatives
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Publisher and Date:(Wiley-VCH Verlag GmbH, 2015)A group of 35-diaryl-2-pyrazoline and hydrazone derivatives was prepared via the reaction of various chalcones with hydrazide compounds in ethanol. Twenty original compounds were synthesized. Ten of these original compounds have a pyrazoline structure nine of these original compounds have a hydrazone structure and one of these original compounds has a chalcone structure. Structural elucidation of the compounds was performed by IR H-1 NMR C-13 NMR mass spectral data and elemental analyses. These ...
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Synthesis molecular modeling in vivo study and anticancer activity of 124-triazole containing hydrazide-hydrazones derived from (S)-naproxen
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Publisher and Date:(Wiley-VCH Verlag GmbH, 2019)A new series of 124-triazole containing hydrazide-hydrazones derived from (S)-naproxen (7a-m) was synthesized in this study. The structures of these compounds were characterized by spectral (Fourier-transform infrared spectroscopy H-1-nuclear magnetic resonance (NMR) C-13-NMR and high-resolution electron ionization mass spectrometry) methods. Furthermore molecular modeling of these compounds was studied on human methionine aminopeptidase-2. All synthesized compounds were screened for anticancer ...