Search results for "Ylide"
showing 10 items of 1084 documents
The IgGFc-binding protein FCGBP is secreted with all GDPH sequences cleaved but maintained by interfragment disulfide bonds
2021
Mucus forms an important protective barrier that minimizes bacterial contact with the colonic epithelium. Intestinal mucus is organized in a complex network with several specific proteins, including the mucin-2 (MUC2) and the abundant IgGFc-binding protein, FCGBP. FCGBP is expressed in all intestinal goblet cells and is secreted into the mucus. It is comprised of repeated von Willebrand D (vWD) domain assemblies, most of which have a GDPH amino acid sequence that can be autocatalytically cleaved, as previously observed in the mucins MUC2 and mucin-5AC. However, the functions of FCGBP in the mucus are not understood. We show that all vWD domains of FCGBP with a GDPH sequence are cleaved and …
Mechanistic study of the biosynthesis of R-phenylcarbinol by acetohydroxyacid synthase enzyme using hybrid quantum mechanics/molecular mechanics simu…
2021
Abstract The biosynthesis of R-phenylacetylcarbinol (R-PAC) by the acetohydroxy acid synthase, (AHAS) is addressed by molecular dynamics simulations (MD), hybrid quantum mechanics/molecular mechanics (QM/MM), and QM/MM free energy calculations. The results show the reaction starts with the nucleophilic attack of the C2α atom of the HEThDP intermediate on the Cβ atom of the carbonyl group of benzaldehyde substrate via the formation of a transition state (TS1) with the HEThDP intermediate under 4′-aminopyrimidium (APH+) form. The calculated activation free energy for this step is 17.4 kcal mol−1 at 27 °C. From this point, the reaction continues with the abstraction of Hβ atom of the HEThDP in…
A new class of phenylhydrazinylidene derivatives as inhibitors of Staphylococcus aureus biofilm formation
2016
In the struggle against the emergence of the antibiotic resistance, new molecules targeting biofilm formation could be useful as adjuvant of conventional antibiotics. This study focused on a new class of 2-phenylhydrazinylidene derivatives as antivirulence agents. The compound 12e showed interesting activities against biofilm formation of all tested Staphylococcus aureus strains with IC50 ranging from 1.7 to 43 µM; compounds 12f and 13a resulted strong inhibitors of S. aureus ATCC 6538 and ATCC 29213 biofilm formation with IC50 of 0.9 and 0.8 µM, respectively. A preliminary study on the mechanism of action was carried on evaluating the inhibition of sortase A transpeptidase. Compound 12e re…
CCDC 145652: Experimental Crystal Structure Determination
2000
Related Article: S.Fustero, M.Garcia de la Torre, M.C.Ramirez de Arellano|2000|Acta Crystallogr.,Sect.C:Cryst.Struct.Commun.|56|e213|doi:10.1107/S0108270100005217
CCDC 2090126: Experimental Crystal Structure Determination
2021
Related Article: Chris Gendy, J. Mikko Rautiainen, Aaron Mailman, Heikki M. Tuononen|2021|Chem.-Eur.J.|27|14405|doi:10.1002/chem.202102804
CCDC 2090120: Experimental Crystal Structure Determination
2021
Related Article: Chris Gendy, J. Mikko Rautiainen, Aaron Mailman, Heikki M. Tuononen|2021|Chem.-Eur.J.|27|14405|doi:10.1002/chem.202102804
CCDC 2121374: Experimental Crystal Structure Determination
2022
Related Article: Liāna Orola, Anatoly Mishnev, Dmitrijs Stepanovs, Agris Bērziņš|2022|ChemRxiv|||doi:10.26434/chemrxiv-2022-rb0xk
CCDC 2222724: Experimental Crystal Structure Determination
2022
Related Article: Lia̅na Orola, Anatoly Mishnev, Dmitrijs Stepanovs, Agris Be̅rziņš|2022|Cryst.Growth Des.|23|873|doi:10.1021/acs.cgd.2c01114
CCDC 922708: Experimental Crystal Structure Determination
2022
Related Article: Liāna Orola, Anatoly Mishnev, Dmitrijs Stepanovs, Agris Bērziņš|2022|ChemRxiv|||doi:10.26434/chemrxiv-2022-rb0xk
CCDC 922164: Experimental Crystal Structure Determination
2022
Related Article: Liāna Orola, Anatoly Mishnev, Dmitrijs Stepanovs, Agris Bērziņš|2022|ChemRxiv|||doi:10.26434/chemrxiv-2022-rb0xk