28022-44-8Relevant articles and documents
Kinetic resolution ofN-aryl β-amino alcoholsviaasymmetric aminations of anilines
Guo, Zheng,Xie, Jinglei,Hu, Tao,Chen, Yunrong,Tao, Houchao,Yang, Xiaoyu
supporting information, p. 9394 - 9397 (2021/09/22)
An efficient kinetic resolution ofN-aryl β-amino alcohols has been developedviaasymmetricpara-aminations of anilines with azodicarboxylates enabled by chiral phosphoric acid catalysis. Broad substrate scope and high kinetic resolution performances were afforded with this method. Control experiments supported the critical roles of the NH and OH group in these reactions.
Epoxidation of Alkenes with Molecular Oxygen as the Oxidant in the Presence of Nano-Al 2O 3
Zhou, Xuan,Wang, Qiong,Xiong, Wenfang,Wang, Lu,Ye, Rongkai,Xiang, Ge,Qi, Chaorong,Hu, Jianqiang
supporting information, p. 1789 - 1794 (2020/09/18)
The nano-Al 2O 3-promoted epoxidation of alkenes with molecular oxygen as the oxidant has been developed, providing an efficient route to a variety of epoxides in moderate to excellent yields. The environmentally friendly and efficient nano-Al 2O 3catalyst could be easily recovered and reused five times without significant loss of activity.
Integration of Enhanced Sampling Methods with Saturation Transfer Difference Experiments to Identify Protein Druggable Pockets
Magalh?es, Joana,Annunziato, Giannamaria,Franko, Nina,Pieroni, Marco,Campanini, Barbara,Bruno, Agostino,Costantino, Gabriele
, p. 710 - 723 (2018/03/30)
Saturation transfer difference (STD) is an NMR technique conventionally applied in drug discovery to identify ligand moieties relevant for binding to protein cavities. This is important to direct medicinal chemistry efforts in small-molecule optimization processes. However, STD does not provide any structural details about the ligand-target complex under investigation. Herein, we report the application of a new integrated approach, which combines enhanced sampling methods with STD experiments, for the characterization of ligand-target complexes that are instrumental for drug design purposes. As an example, we have studied the interaction between StOASS-A, a potential antibacterial target, and an inhibitor previously reported. This approach allowed us to consider the ligand-target complex from a dynamic point of view, revealing the presence of an accessory subpocket which can be exploited to design novel StOASS-A inhibitors. As a proof of concept, a small library of derivatives was designed and evaluated in vitro, displaying the expected activity.