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排序方式: 共有196条查询结果,搜索用时 15 毫秒
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Benoit Deprez Damien Bosc Julie Charton Cyril Couturier Rebecca Deprez-Poulain Marion Flipo Florence Leroux Baptiste Villemagne Nicolas Willand 《Molecules (Basel, Switzerland)》2021,26(19)
Chemical biology and drug discovery are two scientific activities that pursue different goals but complement each other. The former is an interventional science that aims at understanding living systems through the modulation of its molecular components with compounds designed for this purpose. The latter is the art of designing drug candidates, i.e., molecules that act on selected molecular components of human beings and display, as a candidate treatment, the best reachable risk benefit ratio. In chemical biology, the compound is the means to understand biology, whereas in drug discovery, the compound is the goal. The toolbox they share includes biological and chemical analytic technologies, cell and whole-body imaging, and exploring the chemical space through state-of-the-art design and synthesis tools. In this article, we examine several tools shared by drug discovery and chemical biology through selected examples taken from research projects conducted in our institute in the last decade. These examples illustrate the design of chemical probes and tools to identify and validate new targets, to quantify target engagement in vitro and in vivo, to discover hits and to optimize pharmacokinetic properties with the control of compound concentration both spatially and temporally in the various biophases of a biological system. 相似文献
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Polarized planar array infrared (PA-IR) spectroscopy is shown for the first time to be a powerful approach to study the mechanical deformation of polymers. A dual-beam PA-IR spectrometer was built to enable the simultaneous recording of parallel- and perpendicular-polarized spectra at the same sample spot. The technique provides orientation and structural information during and after fast irreversible deformations with a low-ms (or sub-ms) time resolution and a low data scatter. In proof-of-concept experiments, the possibilities of polarized PA-IR spectroscopy are illustrated by studying the deformation of poly(ethylene terephthalate) thin films. 相似文献
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Philippe Baptiste Christoph Dürr Wojciech Jawor Nodari Vakhania 《Operations Research Letters》2004,32(3):258-264
We study the problem of computing a preemptive schedule of equal-length jobs with given release times, deadlines and weights. Our goal is to maximize the weighted throughput. In Graham's notation this problem is described as . We provide an O(n4)-time algorithm, improving the previous bound of O(n10). 相似文献
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Unsymmetrical Binding Modes of the HOPNO Inhibitor of Tyrosinase: From Model Complexes to the Enzyme
Dr. Constance Bochot Dr. Elisabeth Favre Dr. Carole Dubois Dr. Benoit Baptiste Prof. Luigi Bubacco Prof. Pierre‐Alain Carrupt Gisèle Gellon Dr. Renaud Hardré Prof. Dominique Luneau Dr. Yohann Moreau Dr. Alessandra Nurisso Dr. Marius Réglier Prof. Guy Serratrice Dr. Catherine Belle Dr. Hélène Jamet 《Chemistry (Weinheim an der Bergstrasse, Germany)》2013,19(11):3655-3664
The deciphering of the binding mode of tyrosinase (Ty) inhibitors is essential to understand how to regulate the tyrosinase activity. In this paper, by combining experimental and theoretical methods, we studied an unsymmetrical tyrosinase functional model and its interaction with 2‐hydroxypyridine‐N‐oxide (HOPNO), a new and efficient competitive inhibitor for bacterial Ty. The tyrosinase model was a dinuclear copper complex bridged by a chelated ring with two different complexing arms (namely (bis(2‐ethylpyridyl)amino)methyl and (bis(2‐methylpyridyl)amino)methyl). The geometrical asymmetry of the complex induces an unsymmetrical binding of HOPNO. Comparisons have been made with the binding modes obtained on similar symmetrical complexes. Finally, by using quantum mechanics/molecular mechanics (QM/MM) calculations, we studied the binding mode in tyrosinase from a bacterial source. A new unsymmetrical binding mode was obtained, which was linked to the second coordination sphere of the enzyme. 相似文献
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Dr. Baptiste Giroire Dr. Alain Garcia Dr. Samuel Marre Dr. Thierry Cardinal Dr. Cyril Aymonier 《Chemistry (Weinheim an der Bergstrasse, Germany)》2021,27(51):12965-12970
A chemistry platform for the fast continuous synthesis of III–V quantum dots is demonstrated. III-nitride QDs are prepared by using short residence times (less than 30 s) in a one-step continuous process with supercritical solvents. GaN QDs prepared via this route exhibit strong UV photoluminescence with a structuring of the emission signal at low temperature (5 K), confirming their high quality. An example of metal site substitution is given with the synthesis of InxGa1-xN solid solution. A continuous bandgap shift towards lower energies is demonstrated when increasing the indium content with strong photoluminescence signals from UV to visible. The chemistry platform proposed could be easily extrapolated to binary and ternary III phosphides or arsenides with the homologous V source. 相似文献