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31.
Alejandra M. Peter Ventura Dr. Simone Haeberlein Dr. Kerstin Lange-Grünweller Prof. Dr. Arnold Grünweller Prof. Dr. Roland K. Hartmann Prof. Dr. Christoph G. Grevelding Prof. Dr. Martin Schlitzer 《ChemMedChem》2019,14(21):1856-1862
The parasitic disease schistosomiasis is the cause of more than 200 000 human deaths per year. Although the disease is treatable, there is one major shortcoming: praziquantel has been the only drug used to combat these parasites since 1977. The risk of the emergence of resistant schistosomes is known to be increasing, as a reduced sensitivity of these parasites toward praziquantel has been observed. We developed a new class of substances, which are derived from inhibitors of human aldose reductase, and which showed promising activity against Schistosoma mansoni couples in vitro. Further optimisation of the compounds led to an increase in anti-schistosomal activity with observed phenotypes such as reduced egg production, vitality, and motility as well as tegumental damage and gut dilatation. Here, we performed structure–activity relationship studies on the carboxylic acid moiety of biarylalkyl carboxylic acids. Out of 82 carboxylic acid amides, we identified 10 compounds that are active against S. mansoni at 25 μm . The best five compounds showed an anti-schistosomal activity up to 10 μm and induced severe phenotypes. Cytotoxicity tests in human cell lines showed that two derivatives had no cytotoxicity at 50 or 100 μm . These compounds are promising candidates for further optimisation toward the new anti-schistosomal agents. 相似文献
32.
Dr. James P. Holt-Martyn Dr. Rasheduzzaman Chowdhury Dr. Anthony Tumber Dr. Tzu-Lan Yeh Dr. Martine I. Abboud Dr. Kerstin Lippl Dr. Christopher T. Lohans Dr. Gareth W. Langley William Figg Jr. Dr. Michael A. McDonough Prof. Dr. Christopher W. Pugh Prof. Dr. Peter J. Ratcliffe Prof. Dr. Christopher J. Schofield 《ChemMedChem》2020,15(3):270-273
The 2-oxoglutarate-dependent hypoxia inducible factor prolyl hydroxylases (PHDs) are targets for treatment of a variety of diseases including anaemia. One PHD inhibitor is approved for use for the treatment of renal anaemia and others are in late stage clinical trials. The number of reported templates for PHD inhibition is limited. We report structure–activity relationship and crystallographic studies on a promising class of 4-hydroxypyrimidine-containing PHD inhibitors. 相似文献
33.
Tim Helbing Caterina Carraro Alexander Francke Dr. Alice Sosic Michele De Franco Prof. Dr. Valentina Gandin Prof. Dr. Richard Göttlich Prof. Dr. Barbara Gatto 《ChemMedChem》2020,15(21):2040-2051
In this study, we describe the synthesis and biological evaluation of a set of bis-3-chloropiperidines (B−CePs) containing rigid aromatic linker structures. A modification of the synthetic strategy also enabled the synthesis of a pilot tris-3-chloropiperidine (Tri-CeP) bearing three reactive meta-chloropiperidine moieties on the aromatic scaffold. A structure–reactivity relationship analysis of B−CePs suggests that the arrangement of the reactive units affects the DNA alkylating activity, while also revealing correlations between the electron density of the aromatic system and the reactivity with biologically relevant nucleophiles, both on isolated DNA and in cancer cells. Interestingly, all aromatic 3-chloropiperidines exhibited a marked cytotoxicity and tropism for 2D and 3D cultures of pancreatic cancer cells. Therefore, the new aromatic 3-chloropiperidines appear to be promising contenders for further development of mustard-based anticancer agents aimed at pancreatic cancers. 相似文献
34.
Different top layer fabrication methods (amine-first, acid-first, spin coating), organic phase solvents (hexane, heptane, mixed hexane/heptane), acid acceptors (triethylamine, sodium carbonate, sodium hydroxide), and surfactant sodium dodecyl sulfate concentrations (0, 0.05, and 0.1 wt%) were utilized to fabricate thin film composite polyamide membranes for CO2/N2 separation. The results, according to an L9 orthogonal array of Taguchi approach, showed that employing acid-first method increases both CO2 permeance and CO2/N2 selectivity of the membranes at a feed gas pressure of 3 bars. On the other hand, sodium hydroxide, and triethylamine should be used, as acid acceptors, to maximize CO2 permeance and CO2/N2 selectivity, respectively. Moreover, the use of hexane solvent and 0 wt% surfactant led to maximum permeance, while, hexane solvent and 0.1 wt% surfactant were needed to reach the highest selectivity. The above level setting of synthesis parameters also resulted in the minimum sensitivity of the fabrication process to the noise factors effects. As shown by the analysis of variance, acid acceptor, and organic solvent types were the most influential parameters on CO2 permeance and CO2/N2 selectivity, respectively. The effects of fabrication method and surfactant concentration, as single factors, on permeation/selectivity responses were also investigated. 相似文献
35.
Zhi-Bi Zhang Yuan-Ling Xia Guang-Heng Dong Yun-Xin Fu Shu-Qun Liu 《International journal of molecular sciences》2021,22(4)
Cold-adapted enzymes feature a lower thermostability and higher catalytic activity compared to their warm-active homologues, which are considered as a consequence of increased flexibility of their molecular structures. The complexity of the (thermo)stability-flexibility-activity relationship makes it difficult to define the strategies and formulate a general theory for enzyme cold adaptation. Here, the psychrophilic serine hydroxymethyltransferase (pSHMT) from Psychromonas ingrahamii and its mesophilic counterpart, mSHMT from Escherichia coli, were subjected to μs-scale multiple-replica molecular dynamics (MD) simulations to explore the cold-adaptation mechanism of the dimeric SHMT. The comparative analyses of MD trajectories reveal that pSHMT exhibits larger structural fluctuations and inter-monomer positional movements, a higher global flexibility, and considerably enhanced local flexibility involving the surface loops and active sites. The largest-amplitude motion mode of pSHMT describes the trends of inter-monomer dissociation and enlargement of the active-site cavity, whereas that of mSHMT characterizes the opposite trends. Based on the comparison of the calculated structural parameters and constructed free energy landscapes (FELs) between the two enzymes, we discuss in-depth the physicochemical principles underlying the stability-flexibility-activity relationships and conclude that (i) pSHMT adopts the global-flexibility mechanism to adapt to the cold environment and, (ii) optimizing the protein-solvent interactions and loosening the inter-monomer association are the main strategies for pSHMT to enhance its flexibility. 相似文献
36.
The most important polymer film used in commercial capacitors is biaxially oriented polypropylene (BOPP), which could be produced by sequentially or simultaneously biaxial orientation after the melt-extrusion. In order to disclose the influence of the stretching technique on the properties of films, the BOPP films with varied thickness were fabricated by sequential and simultaneous orientation, respectively. Compared to the sequentially biaxially stretched films, the crystal grains in the simultaneously biaxially stretched films are more isotropically dispersed. As temperature increases, all the BOPP films exhibit similar dielectric constant, and the simultaneous films have much lower dielectric loss thanks to the finer blended crystalline and amorphous phases. When the film thickness is smaller than 5 μm, the breakdown field strength, energy density and discharging time of the simultaneous films can be increased by at least 10% comparing to the sequential ones, which is very important for reducing the volume of the film capacitors. All the results suggest the simultaneously biaxial orientation mode shows significant advantages in producing thin BOPP films with better mechanical and electrical properties. 相似文献
37.
Polymers containing a certain amount of long-chain-branching (LCB) structure are expected to possess improved mechanical properties over those of the linear structure counterpart. However, fundamental knowledge on the structure–property relationship in LCB containing polypropylene (PP) is still illusive. In the present study, a set of model PP systems containing an increasing molar fraction of LCB (5–19 mol%) were prepared by reactive extrusion to determine how LCB content may influence the scratch behavior of PP. It is shown that with only 5 mol% of LCB content in PP can improve resistance against scratch-induced fish-scale formation by over 25%. The improvement of scratch resistance is attributed to the increases in entanglement density in LCB-containing PPs, which is evidenced by their creep-recovery behavior. The present study demonstrates that the incorporation of LCB in PP leads to higher viscoelastic recovery and increased tensile strength, which account for the observed improvement in scratch performance. The usefulness of LCB in polymers for improving scratch performance is discussed. 相似文献
38.
39.
对供热纠纷的解决予以关注,介绍了供热纠纷的具体表现,分析了供热纠纷产生的原因,从法律关系的角度对供热关系进行了阐述,最后提出了解决供热纠纷的具体措施,希望为供热纠纷的解决提供一些思路。 相似文献
40.