In an article, author is Kamal, Mehnaz, once mentioned the application of 6296-53-3, Recommanded Product: N-(1,3-Dioxo-1,3-dihydroisobenzofuran-4-yl)acetamide, Name is N-(1,3-Dioxo-1,3-dihydroisobenzofuran-4-yl)acetamide, molecular formula is C10H7NO4, molecular weight is 205.1669, MDL number is MFCD00453138, category is benzofurans. Now introduce a scientific discovery about this category.
Exploration of 24-Hydroxylase, a Vitamin D Metabolizing Enzyme through In Silico Screening of Some New Phenylalanine-Benzofuran-Acetamide/Propanamide/Butanamide Hybrids: An Approach to Overcome Vitamin D Deficiency
Phenylalanine-benzofuran-acetamide/propanamide/butanamide hybrids (VIa-b/VIIa-b/VIIIa-b) were synthesized and in silico screening for CYP24A1 inhibitory activity was studied. The most promising compound among all was found to be VIa (binding score -7.6), binds in manner very similar to the calcitriol. The carboxylate and -NH group forms two hydrogen bonds with THR394 and THR395, respectively. The ring benzofuran fits into the hydrophobic pocket and forms T-shaped pi-pi stacking, whereas the terminal benzyl ring forms pi-sigma interaction with the ILE131 residue. These results clearly showed that these benzofuran hybrids could be a promising lead in the development of novel CYP24A1 inhibitors. [GRAPHICS]
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Reference:
Benzofuran – Wikipedia,
,Benzofuran | C8H6O – PubChem