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31.
Dr. Kely Navakoski de Oliveira Vincent Andermark Susanne von Grafenstein Liliane A. Onambele Gregor Dahl Riccardo Rubbiani Prof. Dr. Gerhard Wolber Dr. Chiara Gabbiani Prof. Dr. Luigi Messori Prof. Dr. Aram Prokop Prof. Dr. Ingo Ott 《ChemMedChem》2013,8(2):256-264
Thioredoxin reductase (TrxR) is overexpressed in cancer cells and is therefore a putative cancer target. Inhibition of this enzyme is considered an important strategy for the development of new chemotherapeutic agents with a specific mechanism of action. Organotin compounds have been described as experimental antitumor agents, yet their mechanism of action remains largely unknown. Based on the outcome of a virtual screening study, various di‐ and tri‐n‐butyltin(IV) carboxylates were synthesized, and their biological properties were evaluated. All synthesized compounds were able to inhibit TrxR selectively within the micromolar range and showed potent antitumor activity against HT‐29 and MCF‐7 cancer cell lines. Moreover, tin(IV) organometallics were found to strongly induce apoptosis in the BJAB lymphoma cell line. Mass spectrometry and atomic absorption spectroscopy experiments revealed metal binding to proteins, and efficient cellular uptake was observed using a di‐n‐butyltin(IV) complex as an example. 相似文献
32.
Dr. Cristina Tintori Ilaria Laurenzana Francesco La Rocca Dr. Federico Falchi Prof. Fabio Carraro Alba Ruiz Prof. José A. Esté Miroslava Kissova Dr. Emmanuele Crespan Prof. Giovanni Maga Prof. Mariangela Biava Dr. Chiara Brullo Prof. Silvia Schenone Prof. Maurizio Botta 《ChemMedChem》2013,8(8):1353-1360
Hematopoietic cell kinase (Hck) is a member of the Src family of non‐receptor protein tyrosine kinases. High levels of Hck are associated with drug resistance in chronic myeloid leukemia. Furthermore, Hck activity has been connected with HIV‐1. Herein, structure‐based drug design efforts were aimed at identifying novel Hck inhibitors. First, an in‐house library of pyrazolo[3,4‐d]pyrimidine derivatives, which were previously shown to be dual Abl and c‐Src inhibitors, was analyzed by docking studies within the ATP binding site of Hck to select the best candidates to be tested in a cell‐free assay. Next, the same computational protocol was applied to screen a database of commercially available compounds. As a result, most of the selected compounds were found active against Hck, with Ki values ranging from 0.14 to 18.4 μM , confirming the suitability of the computational approach adopted. Furthermore, selected compounds showed an interesting antiproliferative activity profile against the human leukemia cell line KU‐812, and one compound was found to block HIV‐1 replication at sub‐toxic concentrations. 相似文献
33.
Chiara E. Ghezzi Jelena Rnjak-Kovacina Anthony S. Weiss David L. Kaplan 《Israel journal of chemistry》2013,53(9-10):777-786
New multifunctional, degradable, polymeric biomaterial systems would provide versatile platforms to address cell and tissue needs in both in vitro and in vivo environments. While protein-based composites or alloys are the building blocks of biological organisms, similar systems have not been largely exploited, to date, to generate ad hoc biomaterials able to control and direct biological functions by recapitulating their inherent structural and mechanical complexities. Therefore, we have recently proposed silk tropoelastin material platforms that are able to conjugate a mechanically robust and durable protein, silk, to a highly flexible and biologically active protein, tropoelastin. This review focuses on the elucidation of the interactions between silk and tropoelastin to control the structure of the material its properties, and ultimately functions. In addition, an approach is provided for novel material designs to provide tools to control biological outcomes through surface roughness, elasticity, and net charge for neuronal and mesenchymal stem-cell-based tissue engineering. 相似文献
34.
35.
Paolo Sarti Maria Chiara Magnifico Fabio Altieri Daniela Mastronicola Marzia Arese 《International journal of molecular sciences》2013,14(6):11259-11276
Extending our previous observations, we have shown on HaCat cells that melatonin, at ~10−9 M concentration, transiently raises not only the expression of the neuronal nitric oxide synthase (nNOS) mRNA, but also the nNOS protein synthesis and the nitric oxide oxidation products, nitrite and nitrate. Interestingly, from the cell bioenergetic point of view, the activated NO-related chemistry induces a mild decrease of the oxidative phosphorylation (OXPHOS) efficiency, paralleled by a depression of the mitochondrial membrane potential. The OXPHOS depression is apparently balanced by glycolysis. The mitochondrial effects described have been detected only at nanomolar concentration of melatonin and within a time window of a few hours’ incubation; both findings compatible with the melatonin circadian cycle. 相似文献
36.
Rosa Iacovino Filomena Rapuano Jolanda Valentina Caso Agostino Russo Margherita Lavorgna Chiara Russo Marina Isidori Luigi Russo Gaetano Malgieri Carla Isernia 《International journal of molecular sciences》2013,14(7):13022-13041
The aptitude of cyclodextrins (CDs) to form host-guest complexes has prompted an increase in the development of new drug formulations. In this study, the inclusion complexes of pipemidic acid (HPPA), a therapeutic agent for urinary tract infections, with native β-CD were prepared in solid state by kneading method and confirmed by FT-IR and 1H NMR. The inclusion complex formation was also characterized in aqueous solution at different pH via UV-Vis titration and phase solubility studies obtaining the stability constant. The 1:1 stoichiometry was established by a Job plot and the inclusion mechanism was clarified using docking experiments. Finally, the antibacterial activity of HPPA and its inclusion complex was tested on P. aeruginosa, E. coli and S. aureus to determine the respective EC50s and EC90s. The results showed that the antibacterial activity of HPPA:β-CD against E. coli and S. aureus is higher than that of HPPA. Furthermore, HPPA and HPPA:β-CD, tested on human hepatoblastoma HepG2 and MCF-7 cell lines by MTT assay, exhibited, for the first time, antitumor activities, and the complex revealed a higher activity than that of HPPA. The use of β-CD allows an increase in the aqueous solubility of the drug, its bioavailability and then its bioactivity. 相似文献
37.
The Alder ene functionalization reaction of double bonds containing macromolecules such as polyisobutene oligomer (PIB) and a styrene-butadiene-styrene triblock copolymer (SBS) samples with maleic anhydride (MAH) or diethyl maleate (DEM) as enophiles is described. The analysis of the products by means of different techniques assesses the addition of the polar molecules to the reactive vinylidene units of the polymer with functional degrees (FD) depending on the type of enophile and polymer reactivity. The role of the reaction conditions and the use as Lewis acids as catalysts are discussed in terms of their influence on the addition reaction extent and on the polymer molecular weight. 相似文献
38.
V. Prattipati Y. S. Hu S. Bandi D. A. Schiraldi A. Hiltner E. Baer S. Mehta 《应用聚合物科学杂志》2005,97(3):1361-1370
The improvement of the oxygen‐barrier properties of poly(ethylene terephthalate) (PET) via blending with an aromatic polyamide [poly(m‐xylylene adipamide) (MXD6)] was studied. The compatibilization of the blends was attempted through the incorporation of small amounts of sodium 5‐sulfoisophthalate (SIPE) into the PET matrix. The possibility of a transamidation reaction between PET and MXD6 was eliminated by 13C‐NMR analysis of melt blends with 20 wt % MXD6. An examination of the blend morphology by atomic force microscopy revealed that SIPE effectively compatibilized the blends by reducing the MXD6 particle size. Thermal analysis showed that MXD6 had a nucleating effect on the crystallization of PET, whereas the crystallization of MXD6 was inhibited, especially in compatibilized blends. Blending 10 wt % MXD6 with PET had only a small effect on the oxygen permeability of the unoriented blend when it was measured at 43% relative humidity, as predicted by the Maxwell model. However, biaxially oriented films with 10 wt % MXD6 had significantly reduced oxygen permeability in comparison with PET. The permeability at 43% relative humidity was reduced by a factor of 3 in compatibilized blends. Biaxial orientation transformed spherical MXD6 domains into platelets oriented in the plane of the film. An enhanced barrier arose from the increased tortuosity of the diffusion pathway due to the high aspect ratio of MXD6 platelets. The aspect ratio was calculated from the macroscopic draw ratio and confirmed by atomic force microscopy. The reduction in permeability was satisfactorily described by the Nielsen model. The decrease in the oxygen permeability of biaxially oriented films was also achieved in bottle walls blown from blends of PET with MXD6. © 2005 Wiley Periodicals, Inc. J Appl Polym Sci 97: 1361–1370, 2005 相似文献
39.
R. Y. F. Liu Y. S. Hu M. R. Hibbs D. M. Collard D. A. Schiraldi A. Hiltner E. Baer 《应用聚合物科学杂志》2005,98(4):1615-1628
The present study examined poly(ethylene terephthalate) (PET) and a series of statistical and blocky copolymers in which up to 30% of the terephthalate was replaced with isophthalate by copolymerization and melt blending, respectively. Some level of transesterification during processing of melt blends resulted in blocky copolymers, as confirmed by NMR. Random and blocky copolymers exhibited similar properties in the glassy state, including a single glass transition, due to miscibility of the blocks. However, random copolymerization effectively retarded cold‐crystallization from the glass whereas blocky copolymers readily cold‐crystallized to a crystallinity level close to that of PET. The polymers were oriented at four temperatures in the vicinity of the Tg and characterized by oxygen transport, wide‐angle X‐ray diffraction, positron annihilation lifetime spectroscopy, and infrared spectroscopy. Orientation of all the copolymers resulted in property changes consistent with strain‐induced crystallization. However, blocky copolymers oriented more easily than random copolymers of the same composition and after orientation exhibited slightly lower oxygen permeability, higher density, and higher fraction trans conformers. Analysis of oxygen solubility based on free volume concepts led to a two‐phase model from which the amount of crystallinity and the amorphous phase density were extracted. Dedensification of the amorphous phase correlated with the draw temperature. © 2005 Wiley Periodicals, Inc. J Appl Polym Sci 98: 1615–1628, 2005 相似文献
40.
Maria Chiara Dalconi Giuseppe Cruciani Alberto Alberti Paolo Ciambelli 《Catalysis Today》2005,110(3-4):345-350
High-silica zeolites exchanged with transition metal ions (TMIs) are the subject of great interest for their unusual catalytic activity and selectivity. Structural information like coordination and accessibility of TMIs in zeolites are important factors for understanding their catalytic activity. Siting of TMIs in zeolites is typically obtained by spectroscopic (EXAFS, EPR, UV–vis and IR) and computational methods, as in the case of Co-ferrierite. However, some controversy exists in the literature concerning the model for incorporation of bare Co ions in ferrierite. We show here that the results of our synchrotron X-ray powder diffraction studies on Co- and Ni-exchanged ferrierite (Si/Al = 8.5) are in a good agreement with the model of Co siting based on an indirect spectroscopic approach and help to validate this model. By direct structural evidences, a possible explanation for the larger catalytic activity of Co sites in the main channels of ferrierite can be inferred. A combination of data from in situ XRD continuous monitoring of the Co ion migration during calcination and crystal-chemical considerations allows to device a strategy for the design of optimised co-cations containing Co-ferrierite catalysts. 相似文献