Oliver, Martin; Le Corre, Laurent; Poinsot, Melanie; Corio, Alessandra; Madegard, Lea; Bosco, Michael; Amoroso, Ana; Joris, Bernard; Auger, Rodolphe; Touze, Thierry; Bouhss, Ahmed; Calvet-Vitale, Sandrine; Gravier-Pelletier, Christine published an article in 2021, the title of the article was Synthesis, biological evaluation and molecular modeling of urea-containing MraY inhibitors.Computed Properties of 574-98-1 And the article contains the following content:
The straightforward synthesis of aminoribosyl uridines substituted by a 5′-methylene-urea is described. 90Their convergent synthesis involves the urea formation from various activated amides and an azidoribosyl uridine substituted at the 5′ position by an aminomethyl group. This common intermediate resulted from the diastereoselective glycosylation of a phthalimido uridine derivative with a ribosyl fluoride as a ribosyl donor. The inhibition of the MraY transferase activity by the synthesized 11 urea-containing inhibitors was evaluated and 10 compounds revealed MraY inhibition with IC50 ranging from 1.9μM to 16.7μM. Their antibacterial activity was also evaluated on a panel of Gram-pos. and Gram-neg. bacteria. Four compounds exhibited a good activity against Gram-pos. bacterial pathogens with MIC ranging from 8 to 32μg mL-1, including methicillin resistant Staphylococcus aureus (MRSA) and Enterococcus faecium. Interestingly, one compound also revealed antibacterial activity against Pseudomonas aeruginosa with MIC equal to 64μg mL-1. Docking experiments predicted two modes of positioning of the active compounds urea chain in different hydrophobic areas (HS2 and HS4) within the MraY active site from Aquifex aeolicus. However, mol. dynamics simulations showed that the urea chain adopts a binding mode similar to that observed in 5CKR structural model and targets the hydrophobic area HS2. The experimental process involved the reaction of 2-(2-Bromoethyl)isoindoline-1,3-dione(cas: 574-98-1).Computed Properties of 574-98-1
The Article related to stereoselective glycosylation nucleoside mol modeling enzyme active site, methicillin drug resistant staphylococcus aureus enterococcus faecium hydrogen bond, peptide mol modeling urea mray antibacterial enzyme active site, mol modeling inhibitor mray inhibitor synthesis antibacterial transferase phosphoacetylmuramoylpeptidetransferase and other aspects.Computed Properties of 574-98-1
Referemce:
Bromide – Wikipedia,
bromide – Wiktionary