Biological Evaluation and X‐ray Co‐crystal Structures of Cyclohexylpyrrolidine Ligands for Trypanothione Reductase, an Enzyme from the Redox Metabolism of Trypanosoma
Sign Up to like & getrecommendations! Published in 2018 at "ChemMedChem"
DOI: 10.1002/cmdc.201800067
Abstract: The tropical diseases human African trypanosomiasis, Chagas disease, and the various forms of leishmaniasis are caused by parasites of the family of trypanosomatids. These protozoa possess a unique redox metabolism based on trypanothione and trypanothione… read more here.
Keywords: reductase; crystal structures; ray crystal; trypanothione reductase ... See more keywords
X-ray crystal structural and spectral studies of copper(II) and nickel(II) complexes of functionalized bis(thiosemicarbazone) ligands and investigation of their electrochemical behavior
Sign Up to like & getrecommendations! Published in 2019 at "Inorganica Chimica Acta"
DOI: 10.1016/j.ica.2018.04.053
Abstract: Abstract Neutral bivalent copper and nickel bis(thiosemicarbazone) complexes bearing the methoxy and bromine substituents on the dialdehyde-backbone of the ligand have been synthesized. All of them have been characterized by spectroscopic methods and in two… read more here.
Keywords: copper nickel; ray crystal; bis thiosemicarbazone; nickel ... See more keywords
Syntheses, X-ray crystal structures of two new Zn(II)-dicyanamide complexes derived from H2vanen-type compartmental ligands: Investigation of thermal, photoluminescence, in vitro cytotoxic effect and DFT-TDDFT studies
Sign Up to like & getrecommendations! Published in 2019 at "Inorganica Chimica Acta"
DOI: 10.1016/j.ica.2019.04.041
Abstract: Abstract Two new dicyanamide modulated zinc metal complexes [Zn4(LOMe)2(µ1-dca)2(µ1,5-dca)2] (1) and [Zn3(LOEt)2(H2O)(µ1-dca)(µ1,5-dca)] (2) have been synthesized using H2vanen-type compartmental ligands. Schiff base ligands and the complexes were characterized by means of elemental analyses, FT-IR, FT-Raman,… read more here.
Keywords: two new; geometry; ray crystal; new dicyanamide ... See more keywords
Synthesis, characterization and X-ray crystal structure of Tp*WII{(R)-(+)-NHCH(Me)Ph}(CO)2
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DOI: 10.1016/j.ica.2020.120016
Abstract: Abstract Reaction of Tp*WIII(CO)2 [Tp* = hydrotris(3,5-dimethylpyrazol-1-yl)borate] with (R)-(+)-α-methylbenzylamine [(R)-(+)-LH2] in dichloromethane yields blue, diamagnetic Tp*WII{(R)-(+)-LH}(CO)2, which has been characterised by microanalysis, mass spectrometry, infrared, 1H NMR, 13C{1H} NMR and electronic spectroscopies, and X-ray crystallography.… read more here.
Keywords: wii; synthesis characterization; characterization ray; crystal structure ... See more keywords
X-ray crystal structure, infrared, Raman and density functional studies of 7-azaindole-3-carboxaldehyde
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DOI: 10.1016/j.molstruc.2016.08.061
Abstract: Abstract A single crystal X-ray analysis, FTIR and FT-Raman spectroscopic studies and the B3LYP/6–311++G (p,d) calculations were performed for 7-azaindole-3-carboxaldehyde, 1H -pyrrolo [2,3- b ]pyridine-3-carbaldehyde (7AI3CA). This compound is an important building block of antibacterial,… read more here.
Keywords: crystal structure; infrared raman; ray crystal; structure infrared ... See more keywords
Monoalkylated barbiturate derivatives: X-ray crystal structure, theoretical studies, and biological activities
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DOI: 10.1016/j.molstruc.2017.04.017
Abstract: Abstract Barbiturate derivatives are privileged structures with a broad range of pharmaceutical applications. We prepared a series of 5-monoalkylated barbiturate derivatives ( 3a – l ) and evaluated, in vitro , their antioxidant (DPPH assay), and… read more here.
Keywords: derivatives ray; monoalkylated barbiturate; crystal structure; barbiturate derivatives ... See more keywords
X-ray crystal structural and spectral studies of copper(II) and nickel(II) complexes of two asymmetric bis(thiosemicarbazone) ligands and the investigation of relationship between the N(4)-substituent and the electrochemical behavior
Sign Up to like & getrecommendations! Published in 2017 at "Polyhedron"
DOI: 10.1016/j.poly.2016.06.048
Abstract: Abstract Asymmetric, potentially tetradentate ligands (H2L5, H2L6·2MeOH) are formed by subsequent condensation a 4-chlorophenyl thiosemicarbazide and 4-phenyl thiosemicarbazide for H2L5, 4-chlorophenyl thiosemicarbazide and 4-bromophenyl thiosemicarbazide for H2L6·2MeOH on dialdehyde (1). The mixed bis(thiosemicarbazones) and their… read more here.
Keywords: copper nickel; investigation; nickel complexes; ray crystal ... See more keywords
Discovery of N-arylsulfonyl-indole-2-carboxamide Derivatives as Potent, Selective, and Orally Bioavailable Fructose-1,6-Bisphosphatase Inhibitors- Design, Synthesis, In Vivo Glucose Lowering Effects, and X-ray Crystal Complex Analysis.
Sign Up to like & getrecommendations! Published in 2020 at "Journal of medicinal chemistry"
DOI: 10.1021/acs.jmedchem.0c00726
Abstract: Liver fructose-1,6-bisphosphatase (FBPase) is a key enzyme in the gluconeogenesis pathway. Inhibiting FBPase activity represents a potential treatment for type 2 diabetes mellitus. A series of novel N-arylsulfonyl-4-arylamino-indole-2-carboxamide derivatives have been disclosed as FBPase inhibitors.… read more here.
Keywords: carboxamide derivatives; indole carboxamide; ray crystal; fructose bisphosphatase ... See more keywords
Design, Synthesis, and Biological Evaluation of Heterocyclic-Fused Pyrimidine Chemotypes Guided by X-ray Crystal Structure with Potential Antitumor and Anti-multidrug Resistance Efficacy Targeting the Colchicine Binding Site.
Sign Up to like & getrecommendations! Published in 2023 at "Journal of medicinal chemistry"
DOI: 10.1021/acs.jmedchem.2c02115
Abstract: Herein, a series of quinazoline and heterocyclic fused pyrimidine analogues were designed and synthesized based on the X-ray co-crystal structure of lead compound 3a, showing efficacious antitumor activities. Two analogues, 15 and 27a, exhibited favorable… read more here.
Keywords: antitumor; colchicine binding; heterocyclic fused; fused pyrimidine ... See more keywords
Synthesis, X-ray crystal structure, Hirshfeld surface analysis and DFT studies of (E)-N′-(2-bromobenzylidene)-4-methylbenzohydrazide
Sign Up to like & getrecommendations! Published in 2019 at "Acta Crystallographica Section E: Crystallographic Communications"
DOI: 10.1107/s2056989018017978
Abstract: The title molecule displays a trans configuration with respect to the C=N double bond. The dihedral angle between the bromo- and the methyl-substituted benzene rings is 16.1 (3)°. In the crystal, molecules are connected by N—H⋯O… read more here.
Keywords: surface analysis; hirshfeld surface; structure hirshfeld; synthesis ray ... See more keywords
X-ray crystal structure of the Escherichia coli RadD DNA repair protein bound to ADP reveals a novel zinc ribbon domain
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DOI: 10.1371/journal.pone.0266031
Abstract: Genome maintenance is an essential process in all cells. In prokaryotes, the RadD protein is important for survival under conditions that include DNA-damaging radiation. Precisely how RadD participates in genome maintenance remains unclear. Here we… read more here.
Keywords: coli radd; structure; zinc ribbon; escherichia coli ... See more keywords