Search results for "ylid"
showing 10 items of 1155 documents
Optimising Lactic Acid Cheese Packaging Systems
2016
On the basis of a previous research, it seems that foil-wrapped tray solutions are not particularly chosen by lactic acid cheese consumers. With relation to this study, almost half of the respondent population would have expressed the desire of different packages. Parchment packages and poly(ethylene-co-vinyl acetate)/polyvinylidene chloride/poly(ethylene-co-vinyl acetate) laminates would be removed by 25.0 and 12.5% of customers, respectively. Polyamide/polyethylene double and single packaging would be removed from the market only by 5.0% of respondents. Data have shown that cheese and packaging quality are dependent on lactic acid cheese surface microflora. The type of this microflora is …
Molecular docking and oxidation kinetics of 3-phenyl coumarin derivatives by human CYP2A13
2021
CYP2A13 enzyme is expressed in human extrahepatic tissues, while CYP2A6 is a hepatic enzyme. Reactions catalysed by CYP2A13 activate tobacco-specific nitrosamines and some other toxic xenobiotics in lungs.To compare oxidation characteristics and substrate-enzyme active site interactions in CYP2A13 vs CYP2A6, we evaluated CYP2A13 mediated oxidation characteristics of 23 coumarin derivatives and modelled their interactions at the enzyme active site.CYP2A13 did not oxidise six coumarin derivatives to corresponding fluorescent 7-hydroxycoumarins. The Km-values of the other coumarins varied 0.85���97 ��M, Vmax-values of the oxidation reaction varied 0.25���60 min���1, and intrinsic clearance var…
What Contributes to the Measured Chiral Optical Response of the Glutathione-Protected Au25 Nanocluster?
2023
The water-soluble glutathione-protected [Au25(GSH)18]−1 nanocluster was investigated by integrating several methodologies such as molecular dynamics simulations, essential dynamics analysis, and state-of-the-art time-dependent density functional theory calculations. Fundamental aspects such as conformational, weak interactions and solvent effects, especially hydrogen-bonds, were included and found to play a fundamental role in assessing the optical response of this system. Our analysis demonstrated not only that the electronic circular dichroism is extremely sensitive to the solvent presence but also that the solvent itself plays an active role in the optical activity of such system, formin…
Pharmacological activity of C10-substituted analogs of the high-affinity kainate receptor agonist dysiherbaine
2010
Kainate receptor antagonists have potential as therapeutic agents in a number of neuropathologies. Synthetic modification of the convulsant marine toxin neodysiherbaine A (NDH) previously yielded molecules with a diverse set of pharmacological actions on kainate receptors. Here we characterize three new synthetic analogs of NDH that contain substituents at the C10 position in the pyran ring of the marine toxin. The analogs exhibited high-affinity binding to the GluK1 (GluR5) subunit and lower affinity binding to GluK2 (GluR6) and GluK3 (GluR7) subunits in radioligand displacement assays with recombinant kainate and AMPA receptors. As well, the natural toxin NDH exhibited ∼100-fold selectivi…
Exploring kainate receptor pharmacology using molecular dynamics simulations
2010
Ionotropic glutamate receptors (iGluRs) are enticing targets for pharmaceutical research; however, the search for selective ligands is a laborious experimental process. Here we introduce a purely computational procedure as an approach to evaluate ligand–iGluR pharmacology. The ligands are docked into the closed ligand-binding domain and during the molecular dynamics (MD) simulation the bi-lobed interface either opens (partial agonist/antagonist) or stays closed (agonist) according to the properties of the ligand. The procedure is tested with closely related set of analogs of the marine toxin dysiherbaine bound to GluK1 kainate receptor. The modeling is set against the abundant binding data …
Structural Mechanism of N-Methyl-D-Aspartate Receptor Type 1 Partial Agonism
2012
N-methyl-D-aspartate (NMDA) receptors belong to a family of ionotropic glutamate receptors that contribute to the signal transmission in the central nervous system. NMDA receptors are heterotetramers that usually consist of two GluN1 and GluN2 monomers. The extracellular ligand-binding domain (LBD) of a monomer is comprised of discontinuous segments that form the functional domains D1 and D2. While the binding of a full agonist glycine to LBD of GluN1 is linked to cleft closure and subsequent ion-channel opening, partial agonists are known to activate the receptor only sub-maximally. Although the crystal structures of the LBD of related GluA2 receptor explain the mechanism for the partial a…
CCDC 996584: Experimental Crystal Structure Determination
2014
Related Article: Matteo Atzori, Flavia Pop, Pascale Auban-Senzier, Carlos J. Gómez-García , Enric Canadell, Flavia Artizzu, Angela Serpe, Paola Deplano, Narcis Avarvari, and Maria Laura Mercuri|2014|Inorg.Chem.|53|7028|doi:10.1021/ic501001r
CCDC 1551429: Experimental Crystal Structure Determination
2018
Related Article: Eleni C. Mazarakioti, Sofia Tzani, Vassilis Psycharis, Michael Pissas, Yiannis Sanakis, Catherine P. Raptopoulou|2017|Curr.Inorg.Chem.|7|66|doi:10.2174/1877944107666170914113838
CCDC 1049500: Experimental Crystal Structure Determination
2015
Related Article: Alina S. Dinca, Sergiu Shova, Adrian E. Ion, Catalin Maxim, Francesc Lloret, Miguel Julve, Marius Andruh|2015|Dalton Trans.|44|7148|doi:10.1039/C5DT00778J
CCDC 1998895: Experimental Crystal Structure Determination
2020
Related Article: Hui Shen, Zhen Xu, Maryam Sabooni Asre Hazer, Qingyuan Wu, Jiang Peng, Ruixuan Qin, Sam Malola, Boon K. Teo, Hannu Häkkinen, Nanfeng Zheng|2020|Angew.Chem.,Int.Ed.|60|3752|doi:10.1002/anie.202013718