The primate-exclusive MRGPRX2 G protein-coupled receptor (GPCR) has been suggested to modulate pain and itch. Despite putative peptide and small-molecule MRGPRX2 agonists, selective nanomolar-potency probes have not yet been reported. To identify a MRGPRX2 probe, we first screened 5,695 small molecules and found that many opioid compounds activated MRGPRX2, including (-)- and (+)-morphine, hydr...

Prediction of three-dimensional structure of cathepsins, and molecular dynamics simulations of cathepsin S were studied by interaction with the drug molecule with virtual screening 681,158 compounds from ZINC database. The result of study showed top 1 ranked was obtained with drug molecule ZINC 23215439 reaction with cathepsin S. This demonstrates that the active site of cathepsin S Cys25, His1...

The rates of zinc chloride (Lewis acid) catalysed oxidation of thioanisole and several para-substituted thioanisoles by permanganate have been studied in anhydrous acetone solutions. The kinetic rate law obtained indicates that a complex between permanganate and the Lewis acid (ZnCl2) is formed before oxidation of the sulfur-containing compounds occurs. The function of the zinc chloride is to e...

Steffen Runge, M athias O. Senge* Institut für Organische Chemie (WE02), Fachbereich Chemie, Freie Universität Berlin, Takustraße 3, D-14195 Berlin, Germany Z. Naturforsch. 53b, 1021-1030 (1998); received June 15, 1998 Porphyrins, Quinones, Electron Transfer Compounds, Crystal Structure, Conformation A series of 5-(benzoquinone)-10,15,20-trialkylporphyrins was synthesized via cross conden­ sati...

The LUMINEU program aims at performing a pilot experiment on neutrinoless double beta decay of Mo using radiopure ZnMoO4 crystals operated as scintillating bolometers. Growth of high quality radiopure crystals is a complex task, since there are no commercially available molybdenum compounds with the required levels of purity and radioactive contamination. This paper discusses approaches to puri...

Percolation diffusion into long (11.5 cm) self-assembled, ordered mesoporous microfibres is studied using optical transmission and laser ablation inductive coupled mass spectrometry (LA-ICP-MS). Optical transmission based diffusion studies reveal rapid penetration (<5 s, D > 80 μm²∙s-¹) of Rhodamine B with very little percolation of larger molecules such as zinc tetraphenylporphyrin (ZnTPP) obs...

The proton affinities of a series of monoand polynuclear zinc-thiolate compounds, mimicking zing finger protein and metallothioneins sites, have been investigated by Density Functional Theory calculations. This allows to evaluate the intrinsic nucleophilicity of synthetic and natural zinc-bound thiolates and to compare their relative reactivities. The site specificity of the experimental thiola...

Wnts are the major ligands responsible for activating Wnt signaling pathway through binding to Frizzled proteins (Fzd) as the receptors. Among these ligands, Wnt2 plays the main role in the tumorigenesis of several human cancers especially colorectal cancer (CRC). Therefore, it can be considered as a potential drug target.The aim of this study was to identify potential drug candidates ...

This study was aimed to investigate the grain antioxidant activity (DPPH. and ABTS.+ radical scavenging activities cuprac reducing capacity), contents of total phenolic compounds, flavonoid capacity five winter durum wheat cultivars under foliar application 0.2% zinc (ZnSO4.7H2O) at different growth stages filling (milky or dough ripeness). The carried out in randomized blocks according split p...

The binuclear zinc(II) complex, [Zn2(HPTP)(CH3COO)]2+ was found highly active to cleave DNA (double-strand super-coiled DNA, pBR322 and phix174) in the presence of hydrogen peroxide. However, no TBARS (2-thiobarbituric acid reactive substance) formation was detected in a solution containing 2-deoxyribose (or 2'-deoxyguanosine, etc); where (HPTP) represents N,N,N'-N'-tetrakis(2-pyridylmethyl)-1,...