17454-30-7Relevant academic research and scientific papers
From hit to lead: De novo design based on virtual screening hits of inhibitors of tRNA-guanine transglycosylase, a putative target of shigellosis therapy
Brenk, Ruth,Gerber, Hans-Dieter,Kittendorf, Jeffrey D.,Garcia, George A.,Reuter, Klaus,Klebe, Gerhard
, p. 1435 - 1452 (2003)
Shigellosis, a bacterial disease, causes the death of more than one million people per year. Extensive studies of Shigella flexneri have recognized tRNA-guanine transglycosylase (TGT, EC 2.4.2.29) as one of the key enzymes involved in the regulation of bacterial virulence. Based on the crystal structure of the Zymomonas mobilis enzyme, we have embarked on the rational design of TGT inhibitors. Herein, we describe the structure-based optimization of hits previously found by virtual screening (see Tables 1-3). For the pteridines, the most potent compound class discovered in a previous virtual screening run, a versatile synthesis could be established giving access to a broad range of substituted derivatives (see Scheme 5). The best ligand in this series, 14, exhibits a Ki = 0.45 μM.
Highly selective tridentate fluorescent probes for visualizing intracellular Mg2+ dynamics without interference from Ca2+ fluctuation
Matsui, Yusuke,Sadhu, Kalyan K.,Mizukami, Shin,Kikuchi, Kazuya
supporting information, p. 10644 - 10647 (2017/10/06)
We developed highly selective fluorescent Mg2+ probes based on a novel tridentate Mg2+-selective chelator. The superior selectivity for Mg2+ over Ca2+ enabled the detection of intracellular Mg2+ concentration changes without any response to Ca2+ influx. The new probes are potential keys to elucidating intracellular Mg2+ dynamics under conditions of extremely sharp Ca2+ fluctuation. andcopy; 2017 The Royal Society of Chemistry.
