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991.
Strategies for the identification of allosteric modulators of chemokine receptors largely rely on various cell‐based functional assays. Radioligand binding assays are typically not available for allosteric binding sites. We synthesized, purified, and applied the first tritium‐labeled allosteric modulator of the human chemokine receptor CXCR3 (RAMX3, [3H]N‐{1‐[3‐(4‐ethoxyphenyl)‐4‐oxo‐3,4‐dihydropyrido[2,3‐d]pyrimidin‐2‐yl]ethyl}‐2‐[4‐fluoro‐3‐(trifluoromethyl)phenyl]‐N‐[(1‐methylpiperidin‐4‐yl)methyl]acetamide). RAMX3 is chemically derived from 8‐azaquinazolinone‐type allosteric modulators and binds to the CXCR3 receptor with a Kd value of 1.08 nM (specific activity: 80.4 Ci mmol?1). Radioligand displacement assays showed potent negative cooperativity between RAMX3 and chemokine CXCL11, providing a basis for the use of RAMX3 to investigate other potential allosteric modulators. Additionally, the synthesis and characterization of a number of other full and truncated 8‐azaquinazoline analogues were used to validate the binding properties of RAMX3. We demonstrate that RAMX3 can be efficiently used to facilitate the discovery and characterization of small molecules as allosteric modulators of the CXCR3 receptor. 相似文献
992.
Elisa Heinrich Mora Cate Heine Jacob J. Jackson Geoffrey B. West Vicky Chuqiao Yang Christopher P. Kempes 《Journal of the Royal Society Interface》2021,18(181)
Urban scaling analysis, the study of how aggregated urban features vary with the population of an urban area, provides a promising framework for discovering commonalities across cities and uncovering dynamics shared by cities across time and space. Here, we use the urban scaling framework to study an important, but under-explored feature in this community—income inequality. We propose a new method to study the scaling of income distributions by analysing total income scaling in population percentiles. We show that income in the least wealthy decile (10%) scales close to linearly with city population, while income in the most wealthy decile scale with a significantly superlinear exponent. In contrast to the superlinear scaling of total income with city population, this decile scaling illustrates that the benefits of larger cities are increasingly unequally distributed. For the poorest income deciles, cities have no positive effect over the null expectation of a linear increase. We repeat our analysis after adjusting income by housing cost, and find similar results. We then further analyse the shapes of income distributions. First, we find that mean, variance, skewness and kurtosis of income distributions all increase with city size. Second, the Kullback–Leibler divergence between a city’s income distribution and that of the largest city decreases with city population, suggesting the overall shape of income distribution shifts with city population. As most urban scaling theories consider densifying interactions within cities as the fundamental process leading to the superlinear increase of many features, our results suggest this effect is only seen in the upper deciles of the cities. Our finding encourages future work to consider heterogeneous models of interactions to form a more coherent understanding of urban scaling. 相似文献
993.
994.
Lobell M Hendrix M Hinzen B Keldenich J Meier H Schmeck C Schohe-Loop R Wunberg T Hillisch A 《ChemMedChem》2006,1(11):1229-1236
The need for in silico characterization of HTS hit structures as part of a data-driven hit-selection process is demonstrated. A solution is described in the form of an in silico ADMET traffic light and PhysChem scoring system. This has been extensively validated with in-house data at Bayer, published data, and a collection of launched small-molecule oral drugs. 相似文献
995.
996.
Highly glazed building envelopes are still a common feature of today's modern architecture despite the on-going raging debate on the energy and comfort performance of highly glazed buildings. It is argued by proponents of high performance and green building designs that the disadvantages of highly glazed buildings outweigh the advantages when operational. In this study, through on-site measurement and simulations, we investigated the behaviour of a recently completed naturally ventilated double-skin façade system at a building in the netherlands with a complex form and a large atrium connecting it to the core of the building. This in a way coupled with the exhaust ventilation of the offices within the building created a problematic thermal indoor environment. It was shown that the dynamic behaviour due to the large influence of the wind fluctuations and solar radiance proved to be highly complex resulting in discomfort and a higher cooling load. 相似文献
997.
I Behrmann C Janzen C Gerhartz H Schmitz-Van de Leur H Hermanns B Heesel L Graeve F Horn J Tavernier PC Heinrich 《Canadian Metallurgical Quarterly》1997,272(8):5269-5274
We established a system of receptor chimeras that enabled us to induce heterodimerization of different cytoplasmic tails. Fusion constructs were created that are composed of the extracellular parts of the interleukin-5 receptor alpha and beta chains, respectively, and the transmembrane and intracellular parts of gp130, the signal transducing chain of the interleukin-6 receptor complex. In COS-7 transfectants we observed a dose-dependent interleukin-5-inducible STAT1 activation for which the presence of both the alpha and the beta chain chimera was needed. No STAT activity was detected if one of the cytoplasmic tails of the receptor complex was deleted, indicating that STAT activity resulted from a receptor dimer rather than from higher receptor aggregates. We further investigated whether dimerization of STAT1 depends on the juxtaposition of two STAT recruitment modules in a receptor complex. We show that a receptor dimer with only a single STAT1 docking site was still able to lead to STAT1 activation. This indicates that the formation of a paired set of STAT binding sites in a receptor complex is not the prerequisite for STAT factor dimerization. Our findings are discussed in view of alternative STAT dimerization models. 相似文献
998.
A high magnetic field pulse with a magnetic flux density of Bmax = 60.5 T was used to induce chemical reactions between poly(carbonate) (PC) and poly(vinyl amine) (PVAm). PC and PVAm were prepared as a thin film composite onto calcium fluoride substrate. A silver ring structure of 30 nm thickness and a mean diameter of 4.5 mm was embedded in the PC/PVAm interface. The applied magnetic pulse induced an Eddy current in the silver ring which results in a temperature of approx. 90 °C. Chemical reactions between PC and PVAm were investigated by Fourier transform infrared spectroscopic imaging and principal component data analysis. The spectroscopic results point to a formation of urethane bonds and degraded PC chains with phenolic end groups in the vicinity of the silver ring structure. The results are in accordance with differential scanning calorimetric experiments and demonstrate a thermally induced chemical reaction between PC and PVAm. 相似文献
999.
1000.