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981.
Reddy KK Singh SK Dessalew N Tripathi SK Selvaraj C 《Journal of enzyme inhibition and medicinal chemistry》2012,27(3):339-347
Pharmacophore modelling and atom-based 3D-QSAR studies were carried out for a series of compounds belonging to N-methyl pyrimidones as HIV-1 integrase inhibitors. Based on the ligand-based pharmacophore model, we got 5-point pharmacophore model AADDR, with two hydrogen bond acceptors (A), two hydrogen bond donors (D) and one aromatic ring (R). The generated pharmacophore-based alignment was used to derive a predictive atom-based 3D-QSAR model for the training set (r(2)?=?0.92, SD?=?0.16, F?=?84.8, N?=?40) and for test set (Q(2)?=?0.71, RMSE?=?0.06, Pearson R?=?0.90, N?=?10). From these results, AADDR pharmacophore feature was selected as best common pharmacophore hypothesis, and atom-based 3D-QSAR results also support the outcome by means of favourable and unfavourable regions of hydrophobic and electron-withdrawing groups for the most potent compound 30. These results can be useful for further design of new and potent HIV-1 IN inhibitors. 相似文献
982.
Babu R Prasad Gillian Mullins Natalia Nikolskaya David Connolly Terry J Smith Valérie A Gérard Stephen J Byrne Gemma-Louise Davies Yurii K Gun'ko Yury Rochev 《Journal of nanobiotechnology》2012,10(1):4
Background
The inherent toxicity of unmodified Quantum Dots (QDs) is a major hindrance to their use in biological applications. To make them more potent as neuroprosthetic and neurotherapeutic agents, thioglycolic acid (TGA) capped CdTe QDs, were coated with a gelatine layer and investigated in this study with differentiated pheochromocytoma 12 (PC12) cells. The QD - cell interactions were investigated after incubation periods of up to 17 days by MTT and APOTOX-Glo Triplex assays along with using confocal microscopy. 相似文献983.
Uranium accumulation by aquatic plants from uranium-contaminated water in Central Portugal 总被引:1,自引:0,他引:1
Pratas J Favas PJ Paulo C Rodrigues N Prasad MN 《International journal of phytoremediation》2012,14(3):221-234
Several species of plants have developed a tolerance to metal that enables them to survive in metal contaminated and polluted sites. Some of these aquatic plants have been reported to accumulate significant amounts of specific trace elements and are, therefore, useful for phytofiltration. This work focuses the potential of aquatic plants for the phytofiltration of uranium (U) from contaminated water. We observed that Callitriche stagnalis, Lemna minor, and Fontinalis antipyretica, which grow in the uraniferous geochemical province of Central Portugal, have been able to accumulate significant amounts of U. The highest concentration of U was found in Callitriche stagnalis (1948.41 mg/kg DW), Fontinalis antipyretica (234.79 mg/kg DW), and Lemna minor (52.98 mg/kg DW). These results indicate their potential for the phytofiltration of U through constructed treatment wetlands or by introducing these plants into natural water bodies in the uraniferous province of Central Portugal. 相似文献
984.
Nageswara Raju C Adinarayana Reddy C Sailaja S Seo HJ Sudhakar Reddy B 《Luminescence》2012,27(5):334-340
This article reports on the optical properties of Er3+ ions doped CdO–Bi2O3–B2O3 (CdBiB) glasses. The materials were characterized by optical absorption and emission spectra. By using Judd–Ofelt theory, the intensity parameters Ωλ (λ = 2, 4, 6) and also oscillatory strengths were calculated from the absorption spectra. The results were used to compute the radiative properties of Er3+:CdBiB glasses. The concentration quenching and energy transfer from Yb3+–Er3+ were explained. The stimulated emission cross‐section, full width at half maximum (FWHM) and FWHM × values are also calculated for all the Er3+:CdBiB glasses. Copyright © 2011 John Wiley & Sons, Ltd. 相似文献
985.
Vapor-induced transformations of docetaxel anhydrous (form D(A)) under ambient conditions have been studied using methanol, ethanol, and water as the solvent media. The online vapor-induced transformations were monitored by powder X-ray diffractometry. New solid forms (solvates/hydrates/anhydrous) of docetaxel anhydrous were obtained in stoichiometric ratios which were characterized completely using powder X-ray diffraction, differential scanning calorimeter, thermogravimetric analysis, and spectroscopic ((13)C solid-state nuclear magnetic spectroscopy, solution (1)H NMR, and Fourier transform infrared) techniques. The new forms namely methanol solvate (D(M)), ethanol solvate (D(E)), monohydrate (D(MH)), trihydrate (D(TH)), and anhydrous (D(AN-I) and D(AN-II)) were identified through structural analysis. 相似文献
986.
987.
Barandeh F Nguyen PL Kumar R Iacobucci GJ Kuznicki ML Kosterman A Bergey EJ Prasad PN Gunawardena S 《PloS one》2012,7(1):e29424
The application of nanotechnology in biological research is beginning to have a major impact leading to the development of new types of tools for human health. One focus of nanobiotechnology is the development of nanoparticle-based formulations for use in drug or gene delivery systems. However most of the nano probes currently in use have varying levels of toxicity in cells or whole organisms and therefore are not suitable for in vivo application or long-term use. Here we test the potential of a novel silica based nanoparticle (organically modified silica, ORMOSIL) in living neurons within a whole organism. We show that feeding ORMOSIL nanoparticles to Drosophila has no effect on viability. ORMOSIL nanoparticles penetrate into living brains, neuronal cell bodies and axonal projections. In the neuronal cell body, nanoparticles are present in the cytoplasm, but not in the nucleus. Strikingly, incorporation of ORMOSIL nanoparticles into the brain did not induce aberrant neuronal death or interfered with normal neuronal processes. Our results in Drosophila indicate that these novel silica based nanoparticles are biocompatible and not toxic to whole organisms, and has potential for the development of long-term applications. 相似文献
988.
Head and neck squamous cell carcinoma (HNSCC) is responsible for approximately 20,000 deaths per year in the United States. Most of the deaths are due to the metastases. To develop more effective strategies for the prevention of metastasis of HNSCC cells, we have determined the effect of grape seed proanthocyanidins (GSPs) on the invasive potential of HNSCC cell and the mechanisms underlying these effects using OSC19 cells as an in vitro model. Using cell invasion assays, we established that treatment of the OSC19 cells with GSPs resulted in a dose-dependent inhibition of cell invasion. EGFR is over-expressed in 90% of HNSCCs and the EGFR inhibitors, erlotinib and gefitinib, are being explored as therapies for this disease. We found that GSPs treatment reduced the levels of expression of EGFR in the OSC19 cells as well as reducing the activation of NF-κB/p65, a downstream target of EGFR, and the expression of NF-κB-responsive proteins. GSPs treatment also reduced the activity of ERK1/2, an upstream regulator of NF-κB and treatment of the cells with caffeic acid phenethyl ester, an inhibitor of NF-κB, inhibited cell invasion. Overexpression of EGFR and high NF-κB activity play a key role in the epithelial-to-mesenchymal transition, which is of critical importance in the processes underlying metastasis, and we found treatment with GSPs enhanced the levels of epithelial (E-cadherin, cytokeratins and desmoglein-2) and reduced the levels of mesenchymal (vimentin, fibronectin, N-cadherin and Slug) biomarkers in the OSC19 cells. These results indicate that GSPs have the ability to inhibit HNSCC cell invasion, and do so by targeting the expression of EGFR and activation of NF-κB as well as inhibiting the epithelial-to-mesenchymal transition. 相似文献
989.
990.