Pollack, Scott J.; Beyer, Kim S.; Lock, Christopher; Mueller, Ilka; Sheppard, David; Lipkin, Mike; Hardick, David; Blurton, Peter; Leonard, Philip M.; Hubbard, Paul A.; Todd, Daniel; Richardson, Christine M.; Ahrens, Thomas; Baader, Manuel; Hafenbradl, Doris O.; Hilyard, Kate; Buerli, Roland W. published an article in Journal of Computer-Aided Molecular Design. The title of the article was 《A comparative study of fragment screening methods on the p38α kinase: new methods, new insights》.Application In Synthesis of 6-Morpholinobenzo[d]thiazol-2-amine The author mentioned the following in the article:
The stress-activated kinase p38α was used to evaluate a fragment-based drug discovery approach using the BioFocus fragment library. Compounds were screened by surface plasmon resonance (SPR) on a Biacore T100 against p38α and two selectivity targets. A sub-set of the library was the focus of detailed follow-up analyses that included hit confirmation, affinity determination on 24 confirmed, selective hits and competition assays of these hits with respect to a known ATP binding site inhibitor. In addition, functional activity against p38α was assessed in a biochem. assay using a mobility shift platform (LC3000, Caliper LifeSciences). A selection of fragments was also evaluated using fluorescence lifetime (FLEXYTE) and microscale thermophoresis (Nanotemper) technologies. A good correlation between the data for the different assays was found. Crystal structures were solved for four of the small mols. complexed to p38α. Interestingly, as determined both by X-ray anal. and SPR competition experiments, three of the complexes involved the fragment at the ATP binding site, while the fourth compound bound in a distal site that may offer potential as a novel drug target site. A first round of optimization around the remotely bound fragment has led to the identification of a series of triazole-containing compounds This approach could form the basis for developing novel and active p38α inhibitors. More broadly, it illustrates the power of combining a range of biophys. and biochem. techniques to the discovery of fragments that facilitate the development of novel modulators of kinase and other drug targets.6-Morpholinobenzo[d]thiazol-2-amine(cas: 94641-22-2Application In Synthesis of 6-Morpholinobenzo[d]thiazol-2-amine) was used in this study.
6-Morpholinobenzo[d]thiazol-2-amine(cas: 94641-22-2) belongs to thiazoles. Thiazoles are a class of five-membered rings containing nitrogen and sulfur with excellent antitumor, antiviral and antibiotic activities.Application In Synthesis of 6-Morpholinobenzo[d]thiazol-2-amineTheir presence in peptides or their ability to bind proteins, DNA and RNA has led to many synthetic studies and new applications.
Referemce:
Thiazole | C3H3NS – PubChem,
Thiazole | chemical compound | Britannica