The purpose of the present research work is prediction of electronic and physico-chemical properties of the novel medicinal compound Ticagrelor (AZD6140) using density functional theory (DFT) method. Firstly, its molecular structure was optimized at B3LYP/6-311++G(d,p) basis set of theory at room temperature. The global reactivity indices used to study the reactivity and stability of the title ...

The archaeal and eukaryal clamp-loader and clamp proteins were investigated with the evolutionary trace method. The molecular phylogeny of the proteins suggested that the hetero-pentameric complex of the archaeal clamp-loader with two subunits (RFCL and RFCS) was not a preserved ancestral type, but a degenerated version of the eukaryal complex of five subunits (RFC1-5). The evolutionary trace o...

Synthesis, characterization and reactivity studies of a hetero-dicopper complex, particularly towards oxygen reduction are presented. A bischlorido copper(II) trishistidine-type coordination unit is positioned directly above copper porphyrin unit. The close distance between the two fragments secured by rigid xanthene backbone. Surprisingly, dinuclear complex not active unlike earlier published ...

Na,K-ATPase is a hetero-oligomer of an aand a b-subunit. The a-subunit (Na,K-a) possesses the catalytic function, whereas the bsubunit (Na,K-b) has cell-cell adhesion function and is localized to the apical junctional complex in polarized epithelial cells. Earlier, we identified two distinct conserved motifs on the Na,K-b1 transmembrane domain that mediate protein-protein interactions: a glycin...

Homo- and hetero-oligomerization of G-protein-coupled receptors (GPCRs) were examined in HEK-293 cells using two variants of bioluminescence resonance energy transfer (BRET). BRET(2) (a variant of BRET) offers greatly improved separation of the emission spectra of the donor and acceptor moieties compared with traditional BRET. Previously recorded homo-oligomerization of the human delta-opioid r...

2,6-Di(hetero)aryl and 2-(hetero)aryl substituted dithienothiazines are prepared from N-aryl dithienothiazines by a lithiation–lithium–zinc exchange–Negishi cross-coupling sequence with (hetero)aryl iodides in a one-pot fashion in good to excellent yields. These novel extended π-electron systems can be reversibly oxidized and fine-tuned in their electronic properties as supported by cyclo volta...

A mild, efficient, and low-temperature palladium-catalyzed cyanation of (hetero)aryl halides and triflates is reported. Previous palladium-catalyzed cyanations of (hetero)aryl halides have required higher temperatures to achieve good catalytic activity. This current reaction allows the cyanation of a general scope of (hetero)aryl halides and triflates at 2-5 mol % catalyst loadings with tempera...

PURPOSE Cataracts are a major cause of blindness worldwide. A potential mechanism for loss of visual acuity may be due to light scattering from disruption of normal protein-protein interactions. During aging, the lens accumulates extensively deamidated crystallins. We have previously reported that deamidation in the betaA3-crystallin (betaA3) dimer decreased the stability of the dimer in vitro....

This article presents the results of research on influence polymetallic-dust aerial emissions pollution levels in soil and plants by heavy metals, which have been under impact “Severonickel” smelter complex Kola peninsula (Russia) for more than 40 years. Research using plant indicators was carried out at monitoring plots years 1980–1999 (with high aerotechnogenic emissions) 2000–2019 low emissi...

(Pinacolato)boryl ortho-silyl(hetero)aryl triflates are presented as a new class of building blocks for arylation. They demonstrate unique versatility by delivering boronate or (hetero)aryne reactivity chemoselectively in a broad range of transformations. This approach enables the unprecedented postfunctionalization of fluoride-activated (hetero)aryne precursors, for example, as substrates in t...