On January 13, 2022, Steadman, David; Atkinson, Benjamin N.; Zhao, Yuguang; Willis, Nicky J.; Frew, Sarah; Monaghan, Amy; Patel, Chandni; Armstrong, Emma; Costelloe, Kathryn; Magno, Lorenza; Bictash, Magda; Jones, E. Yvonne; Fish, Paul V.; Svensson, Fredrik published an article.Reference of 2-(4-Methylbenzamido)acetic acid The title of the article was Virtual Screening Directly Identifies New Fragment-Sized Inhibitors of Carboxylesterase Notum with Nanomolar Activity. And the article contained the following:
Notum is a neg. regulator of Wnt signaling acting through the hydrolysis of a palmitoleoylate ester, which is required for Wnt activity. Inhibitors of Notum could be of use in diseases where dysfunctional Notum activity is an underlying cause. A docking-based virtual screen (VS) of a large com. library was used to short-list 952 compounds for exptl. validation as inhibitors of Notum. The VS was successful with 31 compounds having an IC50 < 500 nM. A critical selection process was then applied with two clusters and two singletons selected for hit validation. Optimization of I guided by structural biol. identified potent inhibitors of Notum activity that restored Wnt/β-catenin signaling in cell-based models. The [1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one series represent a new chem. class of Notum inhibitors and the first to be discovered by a VS campaign. These results demonstrate the value of VS with well-designed docking models based on X-ray structures. The experimental process involved the reaction of 2-(4-Methylbenzamido)acetic acid(cas: 27115-50-0).Reference of 2-(4-Methylbenzamido)acetic acid
The Article related to triazolopyridazinone preparation carboxylesterase notum inhibitor screening, Heterocyclic Compounds (More Than One Hetero Atom): Other 6-Membered Rings, Three Or More Hetero Atoms and other aspects.Reference of 2-(4-Methylbenzamido)acetic acid
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