Abstract This article aimed at the synthesis and molecular docking assessment of new diimine Schiff base ligand, namely 2-(( E )-(2-(( Z )-2-(4-chlorophenyl)-2-hydroxyvinyl)hydrazono) methyl)-6-methoxyphenol (methoxy-diim), via condensation 1-(4-chloro-phenyl)-2-hydrazino-ethenol compound with )-2-(4-chlorophenyl)-2-hydroxy vinyl) hydrazono)methyl)-6-methoxyphenol in acetic acid as well prepara...

The endocrine disruptor bisphenol A (BPA) affects various genes and hormones even at merely physiological levels. We recently demonstrated that BPA binds strongly to human nuclear receptor estrogen-related receptor (ERR) γ and that the phenol-A group of BPA is in a receptacle pocket with essential amino acid residues to provide structural support at the backside. This led BPA to bind to ERRγ in...

Oxidation of phenols by heterodinuclear Cu(III)(μ-O)2Ni(III) complexes containing nucleophilic oxo groups occurs by both proton coupled electron transfer (PCET) and hydrogen atom transfer (HAT) mechanisms; the exact mechanism depends on the nature of the phenol as well as the substitution pattern of the ligand bound to Cu.

Abstract Three neutral Cu(II)/? 4 -NNNO Schiff base complexes ( 1-3 ) were prepared from the (E)-4-nitro-2-(((2-(piperazin-1-yl)ethyl)imino)methyl)phenol, tetradentate (SB) ligand, and corresponding copper(II) salts. The new SB its fully characterized by CHN-EA, standard spectroscopic, thermal, fluorescence analyses. formation of was monitored EDX, FT-IR, UV-Vis. chromotropism studies reflected...

Phenol is a major pollutant in aquatic ecosystems due to its chemical stability, water solubility and environmental mobility. To date, little is known about the molecular modifications of invertebrates under phenol stress. In the present study, we used Solexa sequencing technology to investigate the transcriptome and differentially expressed genes (DEGs) of midges (Chironomus kiinensis) in resp...

Nicotinate mononucleotide (NaMN):5,6-dimethylbenzimidazole phosphoribosyltransferase (CobT) from Salmonella enterica plays a central role in the synthesis of alpha-ribazole, a key component of the lower ligand of cobalamin. Surprisingly, CobT can phosphoribosylate a wide range of aromatic substrates, giving rise to a wide variety of lower ligands in cobamides. To understand the molecular basis ...

BACKGROUND 5-Hydroxytryptamine type 3 (5-HT3) receptors are excitatory ligand-gated ion channels which are involved in postoperative nausea and vomiting. They are depressed by the anesthetic propofol, which, in contrast, enhances the activity of inhibitory ligand-gated ion channels such as gamma-aminobutyric acid type A receptors and glycine receptors. To investigate the molecular mechanisms re...

this study aims to design some dual-target anticancer candidates, capable to act as an alkylating agent as well as a thymidylate synthase (ts) inhibitor. the designed scaffold is a combination of nucleobase, amino acid and aziridine structures. the candidates are docked into ts and three dna double strand structures and evaluated based on their binding interaction energies and ligand efficienci...

The asymmetric unit of the title compound, [Cd(2)Cl(2)(NCS)(2)(C(15)H(15)NO(2))(2)](n), contains the Schiff base 2-[(4-methyl-phenyl-imino)meth-yl]-6-methoxy-phenol (HL) ligand, one thio-cyanate and one chloride ligand coordinated to a cadmium centre. The cadmium centers are linked to each other via two thio-cyanate and two chloride bridges alternately, resulting in centrosymmetric zigzag chain...