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Dr. Maria L. Di Paolo Dr. Michael S. Christodoulou Dr. Alessandra M. Calogero Dr. Luca Pinzi Prof. Giulio Rastelli Prof. Daniele Passarella Prof. Graziella Cappelletti Prof. Lisa Dalla Via 《ChemMedChem》2019,14(18):1641-1652
A series of 2-phenyloxazoles bearing an amide group at position 4 were designed and synthesized for evaluation as potential inhibitors of human recombinant monoamine oxidases (hrMAOs). Results of kinetics experiments demonstrated that all compounds behave as competitive MAO inhibitors, with good selectivity toward the MAO-B isoform. The most potent and selective derivatives are characterized by inhibition constant (Ki) values in the sub-micromolar range and a good selectivity index (Ki MAO-A/Ki MAO-B>50). Some derivatives were also found to be able to inhibit MAO activity in nerve growth factor (NGF)-differentiated PC12 cells, taken as a model of neuronal cells. In particular, 2-(2-hydroxyphenyl)-N-phenyloxazole-4-carboxamide (compound 4 a ) may be a promising new scaffold, exerting the highest selectivity and inhibitory effect toward MAOs in NGF-differentiated PC12 cell lysates, without compromising cell viability. Molecular docking analysis allowed a rationalization of the experimentally observed binding affinity and selectivity. 相似文献
33.
基于ABAQUS的显式动力学分析方法研究 总被引:1,自引:0,他引:1
显式动力学(The Explicit Dynamic)是针对隐式求解器的一个补充,其分析方法对于求解广泛、各类非线性结构力学问题是一个非常有效的工具,显式方法中的单个增量步取决于模型的最高固有频率,与持续时间、载荷类型无关。ABAQUS/Explicit主要用于碰撞、接触以及失效分析。探讨了ABAQUS显式动力学的基本理论、求解的问题,对显示动力学分析方法中的求解算法、稳定时间极限和能量平衡问题进行研究,给出了显示动力学分析的一般性分析方法。通过案例验证了该方法的可行性,应用该方法可有效解决实际工业生产中的碰撞问题、复杂的接触问题以及复杂的后屈曲问题,可为显式动力学分析方法应用于工程实践奠定理论与方法基础。 相似文献
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Dr. Yahu A. Liu Dr. Qihui Jin Qiang Ding Dr. Xueshi Hao Tingting Mo Shanshan Yan Dr. Yefen Zou Dr. Zhihong Huang Xiaoyue Zhang Wenqi Gao Dr. Tom Y.-H. Wu Chun Li Dr. Badry Bursalaya Dr. Michael Di Donato Dr. You-Qing Zhang Lisa Deaton Dr. Weijun Shen Dr. Brandon Taylor Anwesh Kamireddy Dr. George Harb Dr. Jing Li Dr. Yong Jia Dr. Andrew M. Schumacher Dr. Bryan Laffitte Dr. Richard Glynne Dr. Shifeng Pan Dr. Peter McNamara Dr. Valentina Molteni Dr. Jon Loren 《ChemMedChem》2020,15(16):1562-1570
Loss of β-cell mass and function can lead to insufficient insulin levels and ultimately to hyperglycemia and diabetes mellitus. The mainstream treatment approach involves regulation of insulin levels; however, approaches intended to increase β-cell mass are less developed. Promoting β-cell proliferation with low-molecular-weight inhibitors of dual-specificity tyrosine-regulated kinase 1A (DYRK1A) offers the potential to treat diabetes with oral therapies by restoring β-cell mass, insulin content and glycemic control. GNF4877, a potent dual inhibitor of DYRK1A and glycogen synthase kinase 3β (GSK3β) was previously reported to induce primary human β-cell proliferation in vitro and in vivo. Herein, we describe the lead optimization that lead to the identification of GNF4877 from an aminopyrazine hit identified in a phenotypic high-throughput screening campaign measuring β-cell proliferation. 相似文献
36.
The identification rate of UHF RFID system was restricted by multipath propagation effects.The system identification performance was studied considering the correlation coefficient between forward and reverse channels.Based on the generalized Rician fading channel model,the analytical expression of identification rate was derived under independent,full correlation and correlation cases.Compared with the existing analysis,the proposed uniform calculation formula of identification rate was for any correlation coefficient and kinds of channel conditions.The numerical computation and Monte-carlo simulations show that the influences of different correlation coefficients,channel conditions,sensitivity and distance on the identification rate. 相似文献
37.
Qun Ren Haijun Su Jun Zhang Haifang Liu Weidan Ma Guangrao Fan Di Zhao Min Guo Lin Liu Hengzhi Fu 《Ceramics International》2019,45(6):6632-6638
Directionally solidified microstructures of Al2O3-Er3Al5O12 eutectic and off-eutectic in situ composite ceramics were explored under abrupt-change pulling rate conditions. Corresponding temperature distributions and interface locations were studied. In eutectic composition, fluctuation of eutectic spacing occurred when the pulling rate increased abruptly. A gradually increase or abrupt increase in eutectic spacing was observed when the pulling rate decreased abruptly. In hypoeutectic and hypereutectic compositions, formation of the primary phases were suppressed when the pulling rate increased abruptly from 10?µm/s to 100?µm/s, while primary phases precipitated when the pulling rate decreased abruptly from 100?µm/s to 10?µm/s. The interface altitude decreased after the pulling rate increased abruptly, but increased after the pulling rate decreased abruptly. The liquid composition restriction (around the eutectic composition) at the eutectic interface plays an important role in the suppression of the primary dendrite and coupled eutectic oxides can be obtained in off-eutectic compositions even under higher solidification rate conditions. 相似文献
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Dr. Li Di Prof. Per Artursson Dr. Alex Avdeef Prof. Leslie Z. Benet Prof. J. Brian Houston Dr. Manfred Kansy Edward H. Kerns Prof. Hans Lennernäs Dr. Dennis A. Smith Prof. Kiyohiko Sugano 《ChemMedChem》2020,15(20):1862-1874
Passive permeability is a key property in drug disposition and delivery. It is critical for gastrointestinal absorption, brain penetration, renal reabsorption, defining clearance mechanisms and drug-drug interactions. Passive diffusion rate is translatable across tissues and animal species, while the extent of absorption is dependent on drug properties, as well as in vivo physiology/pathophysiology. Design principles have been developed to guide medicinal chemistry to enhance absorption, which combine the balance of aqueous solubility, permeability and the sometimes unfavorable compound characteristic demanded by the target. Permeability assays have been implemented that enable rapid development of structure-permeability relationships for absorption improvement. Future advances in assay development to reduce nonspecific binding and improve mass balance will enable more accurately measurement of passive permeability. Design principles that integrate potency, selectivity, passive permeability and other ADMET properties facilitate rapid advancement of successful drug candidates to patients. 相似文献
40.
针对传统的小区内开环功率控制算法通常以提升本小区的吞吐量性能为目标,忽略了当前小区用户对邻小区用户同频干扰的问题,为提升边缘用户性能的同时兼顾系统整体性能,提出了一种LTE系统小区间上行联合功率控制(UJPC)算法。该算法采用单基站三扇区为系统模型,以最优化系统吞吐量比例公平函数为目标,首先根据最小信干噪比(SINR)约束值和用户最大发射功率这两个约束条件得到相应的数学优化模型,然后采用连续凸近似的方法求解优化问题得出各个基站所管辖的小区内所有用户的最优发射功率。仿真结果表明,与基准的开环功控方案相比,联合功控方案在保证系统平均频谱利用率的情况下能够较大幅度地提高小区边缘频谱利用率,其最佳性能增益能达到50%。 相似文献