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61.
Lescot E Bureau R Sopkova-de Oliveira Santos J Rochais C Lisowski V Lancelot JC Rault S 《Journal of chemical information and modeling》2005,45(3):708-715
The three-dimensional structures of 3-anilino-4-arylmaleimides, selective GSK-3beta inhibitors, were correlated to their biological affinities by 3D-QSAR studies (CoMFA method). The cocrystallographic data of GSK-3beta vs 3-anilino-4-arylmaleimide allowed us to compare 3D-QSAR results to experimental intermolecular interactions. The results of the CoMFA analysis did not really correspond to the interactions recorded in the active site, but they characterized fundamental features (areas of the active site) of the interactions ligand-receptor. These studies were the starting point to analyze a new GSK-3beta ligand, a thieno[2,3-b]pyrrolizinone derivative. This comparison based on docking and simulation approaches allowed us to confirm one preferential orientation of this ligand inside the active site, explaining the relationship with the reference 3-anilino-4-arylmaleimide derivatives and its biological affinity. 相似文献
62.
Bertrand Letois Jean-Charles Lancelot Carmela Saturnino Max Robba Paolo De Caprariis 《Journal of heterocyclic chemistry》1993,30(6):1525-1527
Various derivatives of 2,3-dihydro[1,5]benzothiazepin-4(5H)-ones were synthesized. Alternative route for the synthesis of 5-dimethylaminoethyl-2,3-dihydro[1,5]benzothiazepin-4(5H)-ones and 4-dimethylaminopro-poxy-(2H,5H)-[1,5]benzothiazepines are described. 相似文献
63.
Jana Sopkov‐de Oliveira Santos Anna Caruso Jean‐Franois Lohier Jean‐Charles Lancelot Sylvain Rault 《Acta Crystallographica. Section C, Structural Chemistry》2008,64(8):o453-o455
The title carbazolyl boronic ester, C22H28BNO2, (I), is a building block for the synthesis of new carbazole derivatives of potential utility as pharmaceutically active compounds. The crystal structure of (I) and of the title bromocarbazole compound, C16H16BrN, (II), the synthetic precursor of (I), were solved and analysed with the aim of understanding the lack of reactivity of (I) under Suzuki cross‐coupling reaction conditions. In both structures, the methyl groups are coplanar with the carbazole ring system, and the ethyl group lies out of the carbazole plane. The dioxaborolane ring of boronic ester (I) adopts a half‐chair conformation but lies approximately in a planar orientation with respect of the carbazole ring system, whereas the Br atom of (II) is coplanar with the carbazole plane. In (I), the carbazole–boronic ester C—B bond length is 1.5435 (14) Å, which is somewhat shorter than the usual value of 1.57 Å. 相似文献
64.
Nikul’shina M. S. Mozhaev A. V. Lancelot C. Blanchard P. Lamonier C. Nikul’shin P. A. 《Russian Journal of Applied Chemistry》2019,92(1):105-112
Russian Journal of Applied Chemistry - The effect of quinoline on the hydrodesulfurization and hydrogenation activities of bi- and trimetallic NiMo(W)/Al2O3 hydrotreating catalysts obtained using... 相似文献
65.
Becker-Szendy R Bratton CB Cady DR Casper D Claus R Crouch M Dye ST Gajewski W Goldhaber M Haines TJ Halverson PG Jones TW Kielczewska D Kropp WR Learned JG LoSecco JM McGrew C Matsuno S Mudan MS Price L Reines F Schultz J Sinclair D Sobel HW Stone JL Sulak LR Svoboda R Thornton G van der Velde JC 《Physical review D: Particles and fields》1990,42(9):2974-2976
66.
67.
68.
Dye ST Annis J Becker-Szendy R Bratton CB Casper D Claus R Crouch M Errede S Gajewski W Goldhaber M Haines TJ Jones TW Kielczewska D Kropp WR Learned JG LoSecco JM McGrew C Matthews J Mudan MS Price LR Reines F Schultz J Seidel S Sinclair D Sobel HW Stone JL Sulak LR Svoboda R Thornton G van der Velde JC 《Physical review letters》1989,62(18):2069-2072
69.
Marina Kopp Jean‐Charles Lancelot Patrick Dallemagne Sylvain Rault 《Journal of heterocyclic chemistry》2001,38(5):1045-1050
Synthesis of novel pyrazolopyrrolopyrazines is herein described with the aim to reach new specific PDE‐5 inhibitors of potential clinical interest in male erectile dysfunction. 相似文献
70.
M. S. Nikulshina A. V. Mozhaev P. P. Minaev M. Fournier C. Lancelot P. Blanchard E. Payen C. Lamonier P. A. Nikulshin 《Russian Journal of Applied Chemistry》2017,90(7):1122-1129
Trimetallic NiMoW/Al2O3 catalyst was prepared using mixed H4SiMo3W9O40 heteropoly acid of Keggin structure and nickel citrate. Bimetallic NiMo/Al2O3 and NiW/Al2O3 catalysts based on H4SiMo12O40 and H4SiW12O40, respectively, were synthesized as reference samples. The use of mixed H4SiMo3W9O40 heteropoly acid as an oxide precursor allows the tungsten sulfidation degree and the degree of promotion of active phase particles to be increased. The hydrodesulfurization activity is enhanced as compared to NiW/Al2O3 catalyst. The synergistic enhancement of the activity of the NiMo3W9/Al2O3 catalyst relative to the bimetallic analogs is probably caused by formation of new mixed promoted active sites for direct desulfurization. 相似文献