Di Micco, Simone published the artcileIdentification of 2-(thiophen-2-yl)acetic acid-based lead compound for mPGES-1 inhibition, Safety of (3-((2-Chlorobenzyl)oxy)phenyl)boronic acid, the publication is Frontiers in Chemistry (Lausanne, Switzerland) (2021), 676631, database is CAplus and MEDLINE.
We report the implementation of our in silico/synthesis pipeline by targeting the glutathione-dependent enzyme mPGES-1, a valuable macromol. target in both cancer therapy and inflammation therapy. Specifically, by using a virtual fragment screening approach of aromatic bromides, straight forwardly modifiable by the Suzuki-Miyaura reaction, we identified 3-phenylpropanoic acid and 2-(thiophen-2- yl)acetic acid to be suitable chem. platforms to develop tighter mPGES-1 inhibitors. Among these, compounds 1c and 2c showed selective inhibitory activity against mPGES-1 in the low micromolar range in accordance with mol. modeling calculations Moreover, 1c and 2c exhibited interesting IC50 values on A549 cell lines compared to CAY10526, selected as reference compound The most promising compound 2c induced the cycle arrest in the G0/G1 phase at 24 h of exposure, whereas at 48 and 72 h, it caused an increase of subG0/G1 fraction, suggesting an apoptosis/necrosis effect.
Frontiers in Chemistry (Lausanne, Switzerland) published new progress about 845551-45-3. 845551-45-3 belongs to ethers-buliding-blocks, auxiliary class Chloride,Boronic acid and ester,Benzene,Ether,Boronic Acids,Boronic Acids,Boronic acid and ester,, name is (3-((2-Chlorobenzyl)oxy)phenyl)boronic acid, and the molecular formula is C13H12BClO3, Safety of (3-((2-Chlorobenzyl)oxy)phenyl)boronic acid.
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https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem