53473-83-9Relevant articles and documents
Formation of highly charged quasi-molecular ions of a polycationic [60]fullerene hexakis-adduct and their fragmentation behavior in the gas phase
Li, Jing,Nye, Leanne C.,Wasserthal, Lennard K.,Vinh, Chau,Kirschbaum, Rolf W.,Ivanovic-Burmazovic, Ivana,Hirsch, Andreas,Drewello, Thomas
, p. 2282 - 2290 (2015)
A novel polycationic [60]fullerene hexakis-adduct has been synthesized and investigated by electrospray ionization and tandem mass spectrometry. The polycationic ligand system comprises 12 pre-formed positive charges, compensated in the neutral molecule b
Efficient synthetic access to cationic dendrons and their application for ZnO nanoparticles surface functionalization: New building blocks for dye-sensitized solar cells
Gnichwitz, Jan-Frederik,Marczak, Renata,Werner, Fabian,Lang, Nina,Jux, Norbert,Guldi, Dirk M.,Peukert, Wolfgang,Hirsch, Andreas
scheme or table, p. 17910 - 17920 (2011/03/16)
A new concept for the efficient synthesis of cationic dendrons, 4-tert-butyl-1-(3-(3,4-dihydroxybenzamido)benzyl)pyridinium bromide (17), 1,1′-(5-(3,4-dihydroxybenzamido)-1,3-phenylene)bis(methylene) bis(4-tert-butylpyridinium) bromide (18), N1,N7-bis(3-(
Bisphosphonate inhibition of the exopolyphosphatase activity of the Trypanosoma brucei soluble vacuolar pyrophosphatase
Kotsikorou, Evangelia,Song, Yongcheng,Chan, Julian M. W.,Faelens, Stephanie,Tovian, Zev,Broderick, Erin,Bakalara, Norbert,Docampo, Roberta,Oldfield, Eric
, p. 6128 - 6139 (2007/10/03)
Trypanosoma brucei, the causative agent of African trypanosomiasis, contains a soluble, vacuolar pyrophosphatase, TbVSP1, not present in humans, which is essential for the growth of bloodstream forms in their mammalian host. Here, we report the inhibition of a recombinant TbVSP1 expressed in Escherichia coli by a panel of 81 bisphosphonates. The IC50 values were found to vary from ~2 to 850 μM. We then used 3D QSAR (comparative molecular field and comparative molecular similarity index; CoMFA and CoMSIA) methods to analyze the enzyme inhibition results. The R2 values for the experimental versus the QSAR-predicted activities were 0.78 or 0.61 for CoMFA and 0.79 or 0.68 for CoMSIA, for two different alignments. The root-mean-square (rms) pIC50 error for the best CoMFA model was 0.41 for five test sets of five activity predictions, which translates to a factor of ~2.6 error in IC50 prediction. For CoMSIA, the rms pIC50 error and error factors were 0.35 and 2.2, respectively. In general, the most active compounds contained both a single aromatic ring and a hydrogen bond donor feature. Thirteen of the more potent compounds were then tested in vivo in a mouse model of T. brucei infection. The most active compound in vivo provided a 40% protection from death with no apparent side effects, suggesting that further development of such compounds may be of interest.