Search results for "oxazole"
showing 10 items of 227 documents
Principal component analysis on molecular descriptors as an alternative point of view in the search of new Hsp90 inhibitors
2009
Inhibiting a protein that regulates multiple signal transduction pathways in cancer cells is an attractive goal for cancer therapy. Heat shock protein 90 (Hsp90) is one of the most promising molecular targets for such an approach. In fact, Hsp90 is a ubiquitous molecular chaperone protein that is involved in folding, activating and assembling of many key mediators of signal transduction, cellular growth, differentiation, stress-response and apoptothic pathways. With the aim to analyze which molecular descriptors have the higher importance in the binding interactions of these classes, we first performed molecular docking experiments on the 187 Hsp90 inhibitors included in the BindingDB, a pu…
Coordination behaviour of sulfanilamide derivatives.
2000
Abstract Hg(II), Cd(II) and Zn(II) complexes with the ligands sulfadimethoxine, sulfamethoxypyridazine, sulfadiazine, sulfamerazine, sulfadimidine and sulfamethoxazole have been prepared and characterised by spectral data. 1H and 13C NMR have been used to interpret the structural characteristics of the complexes in solution. The X-ray crystal structures of [Hg(sulfamethoxypyridazinato)2] (2a), [Cd(sulfadimidinato)2(H2O)]·2H2O (4b) and [Zn(sulfamethoxazolato)2(py)2(H2O)2] (6d) have been determined. In complex 2a the Hg(II) ion lies on an inversion centre and exhibits linear coordination by two sulfonamidic nitrogen atoms [Hg–N(1)=2.071(4) A] of the two deprotonated sulfamethoxypyridazinato l…
Direct arylation of heterocycles: the performances of ferrocene-based polyphosphane ligands in palladium-catalyzed C-H bond activation
2010
International audience; The palladium-catalyzed direct arylation of alkylated- furan, thiophene, and thiazole and benzoxazole heterocycles with electronically and sterically deactivated bromoarenes was selectively and efficiently promoted by ferrocenyl polyphosphanes. In this C[BOND]H bond activation reaction of heteroaromatics, the performances of polydentate di-, tri-, and tetraphosphane ligands were compared, showing that the triphosphane 1,1′,2-tris(diphenylphosphino)-4-tert-butylferrocene 3 was the most effective for the coupling. The introduction of more electron-donating (iPr) or electron-withdrawing (furyl) groups on the phosphorus atoms did not improve the ligand performances. The …
Hydrophobic pocket targeting probes for enteroviruses
2015
Visualization and tracking of viruses without compromising their functionality is crucial in order to understand virus targeting to cells and tissues, and to understand the subsequent subcellular steps leading to virus uncoating and replication. Enteroviruses are important human pathogens causing a vast number of acute infections, and are also suggested to contribute to the development of chronic diseases like type I diabetes. Here, we demonstrate a novel method to target site-specifically the hydrophobic pocket of enteroviruses. A probe, a derivative of Pleconaril, was developed and conjugated to various labels that enabled the visualization of enteroviruses under light and electron micros…
Biomonitoring of glyphosate and AMPA in the urine of Spanish lactating mothers
2021
The objectives of this study were to evaluate the urinary levels of Glyphosate (Gly) and its metabolite aminomethylphosphonic acid (AMPA) in Spanish breastfeeding mothers (n = 97), to identify the main predictors of exposure and to perform a risk assessment. Urine samples were analyzed using a method based on solid phase extraction and liquid chromatography tandem mass spectrometry (LC-MS/MS) determination. The developed method showed limits of quantification of 0.1 μg/L for both analytes. The detection frequencies (DFs) were 54% for Gly and 60% for AMPA, with geometric means (GMs) of 0.12 μg/L and 0.14 μg/L, respectively. In the statistical analysis, no relationship was found between the u…
Occurrence of antibiotics in the aquatic environment
1999
The recent monitoring of drug residues in the aquatic environment has gained much interest as many pharmaceutical compounds can frequently be found in sewage treatment plant (STP) effluents and river water at concentrations up to several microgram/l. This article describes the analysis of various water samples for 18 antibiotic substances, from the classes of macrolid antibiotics, sulfonamides, penicillins and tetracyclines. Samples were preconcentrated via lyophilization and quantified using HPLC-electrospray-tandem-mass spectrometry. The investigated STP effluents and surface water samples showed frequent appearance of an erythromycin degradation product, roxithromycin and sulfamethoxazol…
CCDC 707421: Experimental Crystal Structure Determination
2009
Related Article: L.Kiss, M.Nonn, E.Forro, R.Sillanpaa, F.Fulop|2009|Tetrahedron Lett.|50|2605|doi:10.1016/j.tetlet.2009.03.119
Occurrence of antibiotics and risk of antibiotic resistance evolution in selected Kenyan wastewaters, surface waters and sediments
2019
Active pharmaceutical ingredients, especially antibiotics, are micropollutants whose continuous flow into hydrological cycles has the potential to mediate antibiotic resistance in the environment and cause toxicity to sensitive organisms. Here, we investigated the levels of selected antibiotics in four wastewater treatment plants and the receiving water bodies. The measured environmental concentrations were compared with the proposed compound-specific predicted no-effect concentration for resistance selection values. The concentration of doxycycline, amoxicillin, sulfamethoxazole, trimethoprim, ciprofloxacin and norfloxacin within the influents, effluents, surface waters and river sediments…
Leflunomide (HWA 486), a novel immunomodulating compound for the treatment of autoimmune disorders and reactions leading to transplantation rejection.
1991
Leflunomide has been shown to be very effective in preventing and curing several autoimmune animal diseases. Further, this agent is as effective as cyclosporin A in preventing the rejection of skin and kidney transplants in rats. Preliminary results from patients suffering from severe cases of rheumatoid arthritis demonstrated that clinical and immunological parameters could be improved with leflunomide therapy. Mode of action studies revealed that this substance antagonizes the proliferation inducing activity of several cytokines and is cytostatic for certain cell types. In this light, we could show that tyrosine phosphorylation of the RR-SRC peptide substrate and the autophosphorylation o…
Effects of leflunomide on immune responses and models of inflammation.
1993
Leflunomide is an antiphlogistic and immunomodulating agent that has been shown to be effective in preventing and healing autoimmune disorders and reactions leading to organ graft rejection. From our preliminary clinical data [4], we now have hopes that these effects, observed in experimental animals, can truly be transferred to humans. Although we are far from understanding the mode of action of leflunomide, we are slowly gathering some insight. A good many of the immunosuppressive effects of leflunomide can be attributed to the antagonistic effects it has on responses to many cytokines, most likely through receptor expression and signal transduction (tyrosine kinase inhibition). The inhib…