Receptor pharmacophore ensemble (REPHARMBLE): a probabilistic pharmacophore modeling approach using multiple protein-ligand complexes
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Molecular Modeling"
DOI: 10.1007/s00894-018-3820-7
Abstract: Ensemble methods are gaining more importance in structure-based approaches as single protein-ligand complexes strongly influence the outcomes of virtual screening. Structure-based pharmacophore modeling based on a single protein-ligand complex with complex feature combinations is often… read more here.
Keywords: ligand complexes; pharmacophore ensemble; ligand; protein ligand ... See more keywords
New biologically active mixed-ligand Co(II) and Ni(II) complexes of enrofloxacin
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Thermal Analysis and Calorimetry"
DOI: 10.1007/s10973-018-6994-4
Abstract: New mixed-ligand Co(II) and Ni(II) complexes with enrofloxacin and 1,10-phenanthroline/8-hydroxyquinoline have been synthesized. The metal complexes have been characterized by elemental analyses, molar conductance, FT-IR, solid reflectance, magnetic moment, thermal analyses, X-ray powder diffraction (XRD)… read more here.
Keywords: ligand complexes; complexes enrofloxacin; metal complexes; mixed ligand ... See more keywords
Synthesis, structural elucidation, in vitro antibacterial activity, DFT calculations, and molecular docking aspects of mixed-ligand complexes of a novel oxime and phenylalanine.
Sign Up to like & getrecommendations! Published in 2022 at "Bioorganic chemistry"
DOI: 10.1016/j.bioorg.2022.105685
Abstract: An oxime ligand (HL) was synthesized by the condensation of 4-biphenylhydroxymoyl chloride with 2-amino-5-bromopyridine. The oxime ligand was reacted with l-phenylalanine and metal(II) acetate salts (Co(II), Ni(II), and Cu(II)) to synthesize mixed-ligand complexes. Structural elucidation… read more here.
Keywords: ligand complexes; molecular docking; ligand; structural elucidation ... See more keywords
Synthesis, characterization of Uranyl(VI), Th(IV), Zr(IV) mixed-ligand complexes with S-methyl-2-(4-methoxybenzylidine)dithiocarbazate and N-donor co-ligand, and their evaluation as antimicrobial agent
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Saudi Chemical Society"
DOI: 10.1016/j.jscs.2021.101207
Abstract: Abstract Schiff base, S-methyl-2-(4-methoxybenzylidine) dithiocarbazate as a primary ligand (HL1), quinoline (L2) as a co-ligand, and hydrated metal salts have been reacted in ethanol in 1:2:1 molar ratio to produce mixed-ligand complexes of the type,… read more here.
Keywords: methoxybenzylidine dithiocarbazate; methyl methoxybenzylidine; ligand complexes; mixed ligand ... See more keywords
Structural characterization and biological activity of a new metal complexes based of Schiff base
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Molecular Liquids"
DOI: 10.1016/j.molliq.2021.115522
Abstract: Abstract Metal complexes of Co(II), Ni(II) and Cu(II) complexes (1–3) with a new Schiff base (HL) have been prepared and characterized by elemental analyses IR, UV–Visible, magnetic measurements, 1H NMR, 13C NMR, and X-ray diffraction… read more here.
Keywords: structural characterization; ligand complexes; metal complexes; activity ... See more keywords
Synthesis, structure characterization and biological activity of selected metal complexes of sulfonamide Schiff base as a primary ligand and some mixed ligand complexes with glycine as a secondary ligand
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2016.12.070
Abstract: Abstract The current work reports synthesis of metal complexes and mixed ligand complexes of a novel sulfonamide Schiff base ligand (HL) resulted from the condensation of sulfametrole [ N ′ -(4-methoxy-1,2,5-thiadiazol-3-yl]sulfanilamide and acetyl-acetone as a… read more here.
Keywords: ligand complexes; metal complexes; mixed ligand; ligand ... See more keywords
Synthesis, characterization, anticancer properties and theoretical study of asymmetrical Cd(II) N2-Schiff base complexes
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2018.08.072
Abstract: Abstract In this study, synthesis, characterization and anticancer properties of four cadmium(II) complexes of a new asymmetrical bidentate Schiff base ligand (abbreviated as L) with a CdLX2 (X = Cl−, Br−, I− and SCN−) general formula are… read more here.
Keywords: synthesis characterization; ligand complexes; characterization anticancer; ligand ... See more keywords
Synthesis, characterization, molecular modeling and preliminary biochemical evaluation of new copper (II) mixed-ligand complexes
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2020.129695
Abstract: Abstract Three new Cu(II) mixed-ligand complexes of the type [Cu(primary ligand)(secondary co-ligand)], were synthesized, characterized and preliminary tested for their biochemical activities. The primary ligand (HL) was derived from condensation of p-toluidine with 2-hydroxy-naphthalhyde. Three… read more here.
Keywords: ligand complexes; molecular modeling; mixed ligand; ligand ... See more keywords
Synthesis, characterization and antiproliferative activity of mixed ligand complexes of Cu2+ and Co2+ with lapachol
Sign Up to like & getrecommendations! Published in 2019 at "Polyhedron"
DOI: 10.1016/j.poly.2019.03.010
Abstract: Abstract Mixed ligand complexes [Cu(phen)(Lap)2] (1) and [Co(dppeO)(Lap)2] (2) were synthesized from the reaction of lapachol (Lap) with [Cu(phen)Cl2] or [Co(dppe)Cl2] in the presence of Et3N. Complexes (1) and (2) were fully characterized by X-ray… read more here.
Keywords: synthesis characterization; ligand complexes; lapachol; mixed ligand ... See more keywords
Synthesis, structure and thermal behavior of volatile mononuclear mixed ligand complexes of rare-earth dipivaloylmethanates with diethylenetriamine
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DOI: 10.1016/j.poly.2020.114373
Abstract: Abstract Highly volatile and stable complexes of rare-earth elements with mononuclear structure are of great importance for gas phase deposition of functional thin film materials. Mixed ligand complexes with β-diketonate anions (e.g. thd− = 2,2,6,6-tetrametylheptane-3,5-dionate) and ancillary… read more here.
Keywords: ligand complexes; rare earth; structure; mixed ligand ... See more keywords
Copper(II) mixed-ligand complexes with fluoroquinolones and an N-donor co-ligand: Structures and biological application
Sign Up to like & getrecommendations! Published in 2020 at "Polyhedron"
DOI: 10.1016/j.poly.2020.114753
Abstract: Abstract Cu(II) mixed-ligand complexes of the type [Cu(ofx)(bipym)(CH3OH)].ClO4·H2O and [Cu(cpx)(bipym)(NO3)].NO3·2H2O, where ofx = ofloxacin ([9-fluoro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid]), cpx = ciprofloxacin ([1-cyclopropyl-6-fluoro-4-oxo-7-(1-piperazinyl)-1,4-dihydro-3-quinoline carboxylic acid hydrochloride]) and bipym = 2,2′-bipyridylamine, have been synthesized and characterized by elemental analysis, spectroscopic techniques (UV–Vis and FTIR), electron spin… read more here.
Keywords: ligand complexes; copper mixed; analysis; complexes fluoroquinolones ... See more keywords