Cheeseright, Timothy J. published the artcileNovel Lead Structures for p38 MAP Kinase via FieldScreen Virtual Screening, SDS of cas: 1798-04-5, the publication is Journal of Medicinal Chemistry (2009), 52(14), 4200-4209, database is CAplus and MEDLINE.
The p38 MAP kinase has received considerable interest in the pharmaceutical industry and remains a valid and interesting target for the treatment of inflammation. To discover novel p38 inhibitors, the ligand-based virtual screening technique, FieldScreen, was applied to 1.2 million com. available compounds Fifty-eight diverse compounds were selected for biol. anal., using mol. field similarity to known inhibitors, while explicitly removing any structure that shared a scaffold with previously reported p38 inhibitors. Of these, 11 (19%) showed ¡Ý20% inhibition of p38 at 10 ¦ÌM. Analogs of two distinct chem. series were prepared, resulting in a potential lead compound with pIC50 of 6.4. Modeling of SAR using FieldAlign, a ligand alignment protocol, was used to rationalize the SAR of the series of thiadiazole based inhibitors.
Journal of Medicinal Chemistry published new progress about 1798-04-5. 1798-04-5 belongs to catalysis-chemistry, auxiliary class Carboxylic acid,Benzene,Ether, name is 2-(4-(tert-Butyl)phenoxy)acetic acid, and the molecular formula is C12H16O3, SDS of cas: 1798-04-5.
Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia