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192 results for “arylation”
Figure 1 from: Drapak I, Zimenkovsky B, Perekhoda L, Suleyman М, Yeromina H, Skaletska N, Seredynska N, Demchenko A (2019) Search for angiotensin II receptor antagonists among 4-aryl-n-(aryl)-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-thiazol-2-imine derivatives. Pharmacia 66(4): 181-186. https://doi.org/10.3897/pharmacia.66.e36808
Figure 1 Diagram of the interaction of the ligand in complex with the angiotensin receptor ІІ (PDB ID: 3R8A) for hydrobromide of 4-(4-methoxyphenyl)-N-phenyl-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-thiazol-2-imine 3(1).
Figure 2 from: Drapak I, Zimenkovsky B, Perekhoda L, Suleyman М, Yeromina H, Skaletska N, Seredynska N, Demchenko A (2019) Search for angiotensin II receptor antagonists among 4-aryl-n-(aryl)-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-thiazol-2-imine derivatives. Pharmacia 66(4): 181-186. https://doi.org/10.3897/pharmacia.66.e36808
Figure 2 Superposition of molecule of the compound 3(1) hydrobromide of 4-(4-methoxyphenyl)-N-phenyl-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-thiazol-2-imine (blue) in the active site of the angiotensin receptor ІІ (PDB ID: 3R8A).
Figure 3 from: Demchenko SА, Fedchenkova YА, Yeromina HО, Herashenko IV, Berdnyk OH, Demchenko AM (2021) The synthesis of N-(4-aryl-thiazol-2-yl)-N1-(4,5,6,7-tetrahydro-3H-azepin-2-yl)-hydrazine hydrobromides and the cardioprotective activity of (41-methoxyphenyl-thiazol-2-yl) derivative. Pharmacia 68(1): 141-146. https://doi.org/10.3897/pharmacia.68.e58788
Figure 3 Smooth muscle preparations miographic study methodic scheme, where: 1 peristaltic pump 2 thermostat 3 amplifier 4 Capacitive tensometric sensor 5 work chamber (heated wtih thermostat) 6 analog-to-digital converter 7 personal computer.
Figure 1 from: Demchenko SА, Fedchenkova YА, Yeromina HО, Herashenko IV, Berdnyk OH, Demchenko AM (2021) The synthesis of N-(4-aryl-thiazol-2-yl)-N1-(4,5,6,7-tetrahydro-3H-azepin-2-yl)-hydrazine hydrobromides and the cardioprotective activity of (41-methoxyphenyl-thiazol-2-yl) derivative. Pharmacia 68(1): 141-146. https://doi.org/10.3897/pharmacia.68.e58788
Figure 1 Structural formulas for active components of Levocarnitin (а), Mildronate (b) and N-[4-(41-methoxyphenyl)-thiazol-2-yl]-N1-(4,5,6,7-tetrahydro-3H-azepin-2-yl)-hydrazine hydrobromide (5 b)
Scheme 1 from: Demchenko SА, Fedchenkova YА, Yeromina HО, Herashenko IV, Berdnyk OH, Demchenko AM (2021) The synthesis of N-(4-aryl-thiazol-2-yl)-N1-(4,5,6,7-tetrahydro-3H-azepin-2-yl)-hydrazine hydrobromides and the cardioprotective activity of (41-methoxyphenyl-thiazol-2-yl) derivative. Pharmacia 68(1): 141-146. https://doi.org/10.3897/pharmacia.68.e58788
Scheme 1 Synthesis of N-(4-aryl-thiazol-2-yl)-N1-(4,5,6,7-tetrahydro-3Н-azepin-2-yl)-hydrazine hydrobromides (5 a–d). Where: 1, 3, 5: a) R=R1=H b) R=OCH3, R1=H; c) R=Cl, R1=H; d) RR1=-OCH2CH2O-.
Scheme from: Matiichuk Y, Gorak Y, Martyak R, Chaban T, Ogurtsov V, Chaban I, Matiychuk V (2021) Synthesis and antimicrobial activity of 4-(5-ARYL-2-FUROYL)morpholines and 4-[(5-ARYL-2-FURYL)carbonothioyl] morpholines. Pharmacia 68(1): 175-179. https://doi.org/10.3897/pharmacia.68.e46942
Scheme Synthesis of 4-(5-aryl-2-furoyl)morpholines and 4-[(5-aryl-2-furyl)carbonothioyl] morpholines.
Data from: Rapid assessment of conformational preferences in biaryl and aryl carbonyl fragments
The ability to rapidly assess the preferred conformation of key fragments in a structure "by visual inspection" is a very useful starting point in the process of drug design. With the ability to do so, one could address questions like: "How could we avoid planarity in a molecule?", "Will a molecule change its conformational preference if we make it more or less basic?" or "How does this electronic repulsion affect the conformational preference in the system?" in timely fashion. In this paper, we describe how the conformational energy profile (CEP, plot of energy as a function of dihedral bond angle) of a fragment can be interpreted through the understanding the interplay between resonance stabilization, steric effects and electrostatic interactions. Fifty-nine biaryl and aryl carbonyl fragments present in oral drugs or which are close derivatives thereof were selected. Calculation of their CEPs using ab initio methodology allowed us to conclude the relative importance of these factors in the conformational preference of these fragments as follows: steric repulsion > lone pair - lone pair repulsion > lone pair - fluorine repulsion > resonance stabilization and, to formulate "rules of thumb" that the practicing medicinal/organic chemist can apply when analysing molecules that contain these fragments.
Data from: Polycyclic aromatic hydrocarbons can trigger hepatocyte release of extracellular vesicles by various mechanisms of action depending on their affinity for the aryl hydrocarbon receptor.
Extracellular vesicles (EVs) are membrane enclosed nanostructures released by cells into the extracellular environment. As major actors of physiological intercellular communication, they have been shown to be pathogenic mediators of several liver diseases. EVs also appear to be potential actors of drug-induced liver injury, but nothing is known concerning environmental pollutants. We aimed to study the impact of polycyclic aromatic hydrocarbons (PAHs), major contaminants, on hepatocyte-derived EV production, with a special focus on hepatocyte death. Three PAHs were selected, based on their presence in food and their affinity for the aryl hydrocarbon receptor (AhR): benzo(a)pyrene (BP), dibenzo(a,h)anthracene (DBA), and pyrene (PYR). Treatment of primary rat and WIF-B9 hepatocytes by all three PAHs increased the release of EVs, mainly comprised of exosomes, in parallel with modifying exosome protein marker expression and inducing apoptosis. Moreover, PAH treatment of rodents for three months also led to increased EV levels in plasma. The EV release involved CYP metabolism and the activation of the transcription factor, the AhR, for BP and DBA and another transcription factor, the constitutive androstane receptor (CAR), for PYR. Furthermore, all PAHs increased cholesterol levels in EVs but only BP and DBA were able to reduce the cholesterol content of total cell membranes. All cholesterol changes very likely participated in the increase in EV release and cell death. Finally, we studied changes in cell membrane fluidity caused by BP and DBA due to cholesterol depletion. Our data showed increased cell membrane fluidity, which contributed to hepatocyte EV release and cell death.
Data from: Hepatic Aryl hydrocarbon Receptor Nuclear Translocator (ARNT) regulates metabolism in mice
Background & Aims: Aryl hydrocarbon Receptor Nuclear Translocator (ARNT) and its partners hypoxia-inducible factors (HIF)-1α and HIF-2α are candidate factors for the well-known link between the liver, metabolic dysfunction and elevation in circulating lipids and glucose. Methods: Hepatocyte-specific ARNT-null (LARNT), HIF-1α-null (LHIF1α) and HIF-2α-null (LHIF2α) mice were created. Results: LARNT mice had increased fasting glucose, impaired glucose tolerance, increased glucose production, raised post-prandial serum triglycerides (TG) and markedly lower hepatic ATP versus littermate controls. There was increased expression of G6Pase, Chrebp, Fas and Scd-1 mRNAs in LARNT animals. Surprisingly, LHIF1α and LHIF2α mice exhibited no alterations in any metabolic parameter assessed. Conclusions: These results provide convincing evidence that reduced hepatic ARNT can contribute to inappropriate hepatic glucose production and post-prandial dyslipidaemia. Hepatic ARNT may be a novel therapeutic target for improving post-prandial hypertriglyceridemia and glucose homeostasis.
Ligand-Free Pd-Catalyzed Direct C-H Arylation of Aryl Iodides under Ambient Air Conditions
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Analytical data for Allylic C(sp3)―H Arylation of Olefins via Ternary Catalysis
<p>NMR and GCMS dataset for "Allylic C(sp3)―H Arylation of Olefins via Ternary Catalysis". NMR data are available as .mnova files</p>
Analytical data for Radical Carbonyl Umpolung Arylation via Dual Catalysis
<p>Mestrenova (.mnova) data for novel compounds and UV-visible raw data.</p>
Data from: Polycyclic aromatic hydrocarbons can trigger hepatocyte release of extracellular vesicles by various mechanisms of action depending on their affinity for the aryl hydrocarbon receptor.
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Data from: Rapid assessment of conformational preferences in biaryl and aryl carbonyl fragments
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Data from: Hepatic Aryl hydrocarbon Receptor Nuclear Translocator (ARNT) regulates metabolism in mice
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Aryl Hydrocarbon Receptor Regulates Distinct Dioxin-Dependent and Dioxin-Independent Gene Batteries
GEO Series GSE10082. Mus musculus. 17 samples. Type: Expression profiling by array.
Loss of the Aryl Hydrocarbon Receptor (AhR) Promotes Cancer Cells Resistance to BRAFV600E Targeted Therapies. [CRISPR]
GEO Series GSE286107. Homo sapiens. 8 samples. Type: Other.
Type II Alveolar Epithelial Cell Aryl Hydrocarbon Receptor Protects Against Allergic Airway Inflammation through Controlling Cell Autophagy
GEO Series GSE205818. Mus musculus. 12 samples. Type: Expression profiling by high throughput sequencing.
Endogenous aryl hydrocarbon receptor ligands-dysregulated transcriptomic profiles and endothelial function in human fetal endothelial cells
GEO Series GSE250196. Homo sapiens. 22 samples. Type: Expression profiling by high throughput sequencing.
Aryl hydrocarbon receptor activity downstream of IL-10 signaling is required to promote regulatory functions in human dendritic cells [RNA_in_vitro_DC10_iDC_DC10CH]
GEO Series GSE180761. Homo sapiens. 9 samples. Type: Expression profiling by high throughput sequencing.
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