363622-48-4Relevant articles and documents
Stafia-1: a STAT5a-Selective Inhibitor Developed via Docking-Based Screening of in Silico O-Phosphorylated Fragments
Natarajan, Kalaiselvi,Müller-Klieser, Daniel,Rubner, Stefan,Berg, Thorsten
, p. 148 - 154 (2020)
We present a new approach for the identification of inhibitors of phosphorylation-dependent protein–protein interaction domains, in which phenolic fragments are adapted by in silico O-phosphorylation before docking-based screening. From a database of 10 369 180 compounds, we identified 85 021 natural product-derived phenolic fragments, which were virtually O-phosphorylated and screened for in silico binding to the STAT3 SH2 domain. Nine screening hits were then synthesized, eight of which showed a degree of in vitro inhibition of STAT3. After analysis of its selectivity profile, the most potent inhibitor was then developed to Stafia-1, the first small molecule shown to preferentially inhibit the STAT family member STAT5a over the close homologue STAT5b. A phosphonate prodrug based on Stafia-1 inhibited STAT5a with selectivity over STAT5b in human leukemia cells, providing the first demonstration of selective in vitro and intracellular inhibition of STAT5a by a small-molecule inhibitor.
Photoinduced energy and electron transfer in phenylethynyl-bridged zinc porphyrin-oligothienylenevinylene-C60 ensembles
Urbani, Maxence,Ohkubo, Kei,Islam, D. M. Shafiqul,Fukuzumi, Shunichi,Langa, Fernando
supporting information; experimental part, p. 7473 - 7485 (2012/07/28)
Donor-bridge-acceptor triad (Por-2TV-C60) and tetrad molecules ((Por)2-2TV-C60), which incorporated C60 and one or two porphyrin molecules that were covalently linked through a phenylethynyl-oligothienylenevinyl
Synthesis, characterization, and optical response of dipolar and non-dipolar poly(phenylenevinylene) dendrimers
Diez-Barra,Garcia-Martinez,Merino,Del Rey,Rodriguez-Lopez,Sanchez-Verdu,Tejeda
, p. 5664 - 5670 (2007/10/03)
New dipolar and non-dipolar poly(phenylenevinylene) dendrimers bearing electron-donating and electron-withdrawing groups have been efficiently synthesized using Heck and Horner-Wadsworth-Emmons reactions. The photoluminescence of these systems may be tuned in the blue zone by choosing the appropriate peripheral groups. Despite the meta-substitution pattern, large Stokes shifts can be observed when π-donor and π-acceptor groups are connected by a m-phenylenevinylene system.