74083-58-2Relevant articles and documents
Photophysical, DFT and molecular docking studies of Sm(III) and Eu(III) complexes of newly synthesized coumarin ligand
Bedair, Mahmoud A.,Elsayed, Badr A.,Elsenety, Mohamed M.,Ibrahem, Ibrahem A.
, (2020)
Herein, [M(HL)2(H2O)2]NO3·2H2O (M = Sm (III) /or Eu (III); HL = 4-(2-hydroxy benzylidene acetohyrazide)-7-hydroxy coumarin) were synthesized and characterized using several spectroscopic methods. The complexes stoichiometry with molar ratio 2L:1M were confirmed by Job's method. Tridentate ligand (HL) was coordinated to the lanthanide ions Sm(III) or Eu(III) through azomethine nitrogen atom, phenolic oxygen of hydrazide, and ketonic oxygen of the amide group. The photophysical properties of the ligand and its complexes were studied in different organic solvents and their fluorescence quantum yields were determined as well. Strong fluorescence emissions to red shifts of europium complex were observed at 580, 593, 617, 653, 693, 704 nm which were attributed to Eu(III) emission of 5D0→7F0, 5D0→7F1, 5D0→7F2, 5D0→7F3, 5D0→7F4, and 5D0→7F5, respectively. First-principles DFT calculations were performed to evaluate the optimized structure and separation energies of the HL compound, using the B3LYP/6-311++g(d,p) basis set. Molecular docking studies were carried out to predict the binding modes between the HL compound and active site of the xanthine oxidase enzyme [ECNo. (1.17.3.2) PDB ID: 1FIQ] which produced from liver patients of hepatitis C. The observed activity of the HL gave rise to the conclusion that it might exert its action through inhibition of the xanthine oxidase enzyme.
A selective fluorescent probe for the detection of mercury (II) in aqueous media and its applications in living cells
Garcia-Beltran, Olimpo,Cassels, Bruce K.,Mena, Natalia,Nunez, Marco T.,Berrios, Tania A.,Castro, Enrique A.,Aliaga, Margarita E.
, p. 6598 - 6601,4 (2012)
In this Letter we present a new probe, 2-amino-3-hydroxy-2-(hydroxymethyl) propyl 2-(7-hydroxy-2-oxo-2H-chromen-4-yl)acetate (PMR), which can reversibly detect mercuric ions (Hg2+) in HEPES buffer under physiological conditions. Possible interference with other analytes was examined. PMR displays a highly selective decrease of its fluorescence at 460 nm when it reacts with Hg2+. Interestingly, the probe can also be used as a fluorescent turn-on sensor for biologically relevant thiols such as glutathione and cysteine. PMR can be used to determine mercury in living cells.
Discovery, biological evaluation, and structure-activity and -selectivity relationships of 6′-substituted (E)-2-(benzofuran-3(2H)-ylidene)-N- methylacetamides, a novel class of potent and selective monoamine oxidase inhibitors
Pisani, Leonardo,Barletta, Maria,Soto-Otero, Ramon,Nicolotti, Orazio,Mendez-Alvarez, Estefania,Catto, Marco,Introcaso, Antonellina,Stefanachi, Angela,Cellamare, Saverio,Altomare, Cosimo,Carotti, Angelo
, p. 2651 - 2664 (2013/05/08)
The use of selective inhibitors of monoamine oxidase A (MAO-A) and B (MAO-B) holds a therapeutic relevance in the treatment of depressive disorders and Parkinson's disease (PD), respectively. Here, the discovery of a new class of compounds acting as monoamine oxidase inhibitors (MAO-Is) and bearing a 6′-substituted (E)-2-(benzofuran-3(2H)-ylidene)-N-alkylacetamide skeleton is reported. 6′-Sulfonyloxy derivatives exhibited outstanding affinities to MAO-A (7.0 nM 50 49 nM, much higher than moclobemide) and a pronounced MAO-A/B selectivity. The corresponding 6′-benzyloxy derivatives showed potent MAO-B inhibition and inverted selectivity profile. The rigid E-geometry of the exocyclic double bond allowed a more efficient binding conformation compared to more flexible and less active 2-(1-benzofuran-3-yl)-N- methylacetamide isomers and 4-N-methylcarboxamidomethylcoumarin analogues. Focused structural modifications and docking simulations enabled the identification of key molecular determinants for high affinity toward both MAO isoforms. These novel MAO-Is may represent promising hits for the development of safer therapeutic agents with a potential against depression, PD, and other age-related neurodegenerative pathologies.
