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排序方式: 共有3547条查询结果,搜索用时 15 毫秒
1.
Viktoria M. S. Kjær Loukas Ieremias Dr. Viktorija Daugvilaite Dr. Michael Lückmann Prof. Thomas M. Frimurer Prof. Trond Ulven Prof. Mette M. Rosenkilde Dr. Jon Våbenø 《ChemMedChem》2021,16(17):2623-2627
The G protein-coupled receptor GPR183/EBI2, which is activated by oxysterols, is a therapeutic target for inflammatory and metabolic diseases where both antagonists and agonists are of potential interest. Using the piperazine diamide core of the known GPR183 antagonist (E)-3-(4-bromophenyl)-1-(4-(4-methoxybenzoyl)piperazin-1-yl)prop-2-en-1-one (NIBR189) as starting point, we identified and sourced 79 structurally related compounds that were commercially available. In vitro screening of this compound collection using a Ca2+ mobilization assay resulted in the identification of 10 compounds with agonist properties. To enable establishment of initial structure-activity relationship trends, these were supplemented with five in-house compounds, two of which were also shown to be GPR183 agonists. Taken together, our findings suggest that the agonist activity of this compound series is dictated by the substitution pattern of one of the two distal phenyl rings, which functions as a molecular efficacy-switch. 相似文献
2.
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
3.
Sheldon H. Jacobson Julie L. Virta Jon M. Bowman John E. Kobza John J. Nestor 《IIE Transactions》2003,35(3):259-269
Aviation security protects vital national interests, as well as passengers and aircraft. Key components of an aviation security system include baggage and passenger screening devices and operations. Determining how and where to assign (deploy) such devices can be quite challenging. Moreover, even after such systems are in place, it can be difficult to measure their effectiveness. This paper describes how discrete optimization models can be used to address these questions, based on three performance measures that quantify the effectiveness of airport baggage screening security device systems. These models are used to solve for optimal airport baggage screening security device deployments considering the number of passengers on a set of flights who have not been cleared using a security risk assessment system in use by the Federal Aviation Administration (i.e., passengers whose baggage is subjected to screening), the number of flights in this set, and the size of the aircraft for such flights. Several examples are provided to illustrate these results, including an example that uses data available from the Official Airline Guide. 相似文献
4.
M. Riad Manaa Laurence E. Fried Evan J. Reed 《Journal of Computer-Aided Materials Design》2003,10(2):75-97
In this article, we review recent atomistic computational techniques to study the electronic structure aspects and chemistry
of energetic materials at high-pressure and/or high temperature. While several mechanisms have been proposed for the initial
events of energetic materials at high-pressure, we explore the validity of a proposed shear-induced local metallization via
molecular bond bending in the insensitive explosive TATB. We study the effect of high-stress (both uniform and uniaxial) on
the electronic energy band-gap and the first chemical event of a prototypical energetic material, that of nitromethane. We
also determine chemical reactions rate laws and decomposition mechanisms from a quantum-based molecular dynamics simulation
of HMX, a widely used explosive material, at conditions of high density and temperature similar to that encounter under detonation.
Finally, we review a new multi-scale computational tool recently developed to model the shock-induced chemistry of energetic
materials at the atomistic level, and report its applicability to shocked solid nitromethane.
This revised version was published online in June 2006 with corrections to the Cover Date. 相似文献
5.
Field surveys of a series of conjugated diunsaturated straight-chain primary alcohols, acetates, and aldehydes (dienes), including the 3,5-dode-cadienyl, 8,10-dodecadienyl, 3,5-tetradecadienyl, 8,10-tetradecadienyl, 9,11-tetradecadienyl, and 10,12-tetradecadienyl primary alcohols, acetates, and most aldehydes, and the related monounsaturated straight-chain primary alcohols, acetates, and aldehydes (monoenes), including the 3-dodecadienyl alcohol and acetates, attracted the following species from the title families. Diene attractants have been demonstrated for at least onePhyllonorycter sp.,Chionodes lugubrella (Fabr.),Leptostales ferruminaria (Zell.),Drepana bilineata (Pack.),Pyrausta fodinalis (Led.),Notocelia purpurissatana Heinr.,Phaneta alterana Heinr. Monoene attractants were demonstrated forHedya separatana (Kft.),Cydia fletcherana (Kft.),Barbara mappana Free.,Ancylis burgessiana (Zell.),Ancylis nubeculana Clem.,Evippe prunifoliella Cham.,Phlyctaenia coronata tertialis (Gn.), aChionodes sp., a Gelechiidae sp., and an unidentifiedPhyllonorycter sp. Replicated field experiments showed attraction-inhibition relationships for most species. Electroantennagram data are presented forLeptostales ferruminaria andDrepana bilineata. 相似文献
6.
7.
The effect of secondary scattering that is produced by the induced current in an infinitely long, finitely conducting wire over a plane, finitely conducting earth from an incident electromagnetic pulse is investigated. This is accomplished by finding the field of a Hertzian dipole over the earth and identifying the part that is due to secondary scattering. Frequency-domain results for the overall induced current require that certain infinite integrals be numerically evaluated. Fourier inversion to the time domain in turn requires the numerical evaluation of another infinite integral. When the results are compared to those obtained when secondary scattering is ignored, it is found that secondary scattering slightly increases the current for the case of broadside incidence and reduces it for the case of grazing incidence by as much as two orders of magnitude. Peak currents are much smaller than previously thought. These general results hold for all of the earth parameters that were used in the study 相似文献
8.
9.
Intelligent Monitoring for Adaptation in Grid Applications 总被引:1,自引:0,他引:1
Reed D.A. Mendes C.L. 《Proceedings of the IEEE. Institute of Electrical and Electronics Engineers》2005,93(2):426-435
Grid applications access distributed, and often shared, resources. One consequence of this resource sharing is that measured application performance can vary widely and in unexpected ways. Determining the causes of poor performance, due to either anomalous application behavior or contention for shared resource use, and adapting to changing circumstances are critical to creation of robust Grid applications. Performance contracts and real-time adaptive control are two mechanisms to realize soft performance guarantees in Grid environments. Performance contracts formalize the relationship between application performance needs and resource capabilities. During execution, contract monitors use performance data to verify that expectations are met. When the contracted specifications are not satisfied, the system can choose to either adapt the application to available resources or reschedule the application on a new set of resources that can satisfy the original contract specifications. We describe an infrastructure for Grid application contract development and monitoring. This infrastructure, based on the Autopilot toolkit, provides flexible and scalable tools to assess both application and system behavior. 相似文献
10.
Jon T. Carter Paul E. Krajewski Ravi Verma 《JOM Journal of the Minerals, Metals and Materials Society》2008,60(11):77-81
The hot blow forming of magnesium sheet offers significant opportunity for forming complex, lightweight parts for automotive
applications. This paper characterizes the elevated-temperature formability of AZ31 magnesium sheet materials and the effect
of processing conditions on the performance of these materials. In addition, magnesium sheet application development at General
Motors Corporation is reviewed. 相似文献