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Emre Menteşe, Hakan Bektaş, Bahar Bilgin Sokmen, Mustafa Emirik, Demet Çakır, Bahittin Kahveci
A new series of benzimidazole compounds including hydrazinecarbothioamide, 1,2,4-triazole, 1,3,4-oxadiazole and imine function were synthesized starting from 5,6-dichloro-2-cyclopropyl-1H-benzimidazole. All of the benzimidazole derivatives exhibited good urease inhibitor activity. Compound 6a proved to be the most potent showing an enzyme inhibitory activity with an IC50=0.06µM. Molecular docking studies were also conducted on enzyme extracted from Jack bean urease to identify the binding mode of the newly synthesized compounds...
May 10, 2017: Bioorganic & Medicinal Chemistry Letters
Salvatore Pacifico, Aidan Kerckhoffs, Andrew J Fallow, Rachel E Foreman, Remo Guerrini, John McDonald, David G Lambert, Andrew G Jamieson
The urotensin-II receptor (UTR) is a class A GPCR that predominantly binds to the pleiotropic cyclic peptide urotensin-II (U-II). U-II is constrained by a disulfide bridge that induces a β-turn structure and binds pseudo-irreversibly to UTR and is believed to result in a structural rearrangement of the receptor. However, it is not well understood how U-II binds pseudo-irreversibly and the nature of the reorganization of the receptor that results in G-protein activation. Here we describe a series of U-II peptidomimetics incorporating a non-reducible disulfide bond structural surrogate to investigate the feasibility that native U-II binds to the G protein-coupled receptor through disulfide bond shuffling as a mechanism of covalent interaction...
May 19, 2017: Organic & Biomolecular Chemistry
Margaret A Fitzpatrick, Katie J Suda, Charlesnika T Evans, Robert J Hunkler, Frances Weaver, Glen T Schumock
PURPOSE: Overall and specific class trends in systemic antifungal expenditures in various U.S. healthcare settings from 2005 through 2015 were evaluated. METHODS: Systemic antifungal expenditures from January 1, 2005, through December 31, 2015, were obtained from the QuintilesIMS National Sales Perspective database, which provides a statistically valid projection of medication purchases from multiple markets throughout the United States. Summary data for total antifungal expenditures over the entire period are reported, as are growth and the percentage change in expenditures from one year to the next...
May 18, 2017: American Journal of Health-system Pharmacy: AJHP
Mahesh Madasu, Chi-Fu Hsia, Michael H Huang
Au-Cu core-shell nanocubes and octahedra synthesized in aqueous solution were employed to catalyze a 1,3-dipolar cycloaddition reaction between phenylacetylene and benzyl azide in water at 50 °C for 3 h. Interestingly, the nanocubes were far more efficient in catalyzing this reaction, giving 91% yield of a regioselective 1,4-triazole product, while octahedra only recorded 46% yield. The Au-Cu nanocubes were subsequently employed to catalyze the click reaction between benzyl azide and a broad range of aromatic and aliphatic alkynes...
May 18, 2017: Nanoscale
De-Ying Zeng, Guo-Tao Kuang, Shi-Ke Wang, Wang Peng, Shu-Ling Lin, Qi Zhang, Xiao-Xuan Su, Ming-Hao Hu, Honggen Wang, Jia-Heng Tan, Zhi-Shu Huang, Lian-Quan Gu, Tian-Miao Ou
The specificity of nucleic acids' binders is crucial for developing this kind of drugs, especially for novel G-quadruplexes' binders. Quindoline derivatives have been developed as G-quadruplex stabilizers with good interactive activities. In order to improve the selectivity and binding affinity of quindoline derivatives as c-myc G-quadruplex binding ligands, novel triazole containing benzofuroquinoline derivatives (T-BFQs) were designed and synthesized by using the 1,3-dipolar cycloaddition of a series of alkyne and azide building blocks...
May 17, 2017: Journal of Medicinal Chemistry
J Bouquet, D T King, G Vadlamani, G R Benzie, B Iorga, D Ide, I Adachi, A Kato, D J Vocadlo, B L Mark, Y Blériot, J Désiré
The synthesis of a series of d-gluco-like configured 4,5,6-trihydroxyazepanes bearing a triazole, a sulfonamide or a fluorinated acetamide moiety at C-3 is described. These synthetic derivatives have been tested for their ability to selectively inhibit the muropeptide recycling glucosaminidase NagZ and to thereby increase sensitivity of Pseudomonas aeruginosa to β-lactams, a pathway with substantial therapeutic potential. While introduction of triazole and sulfamide groups failed to lead to glucosaminidase inhibitors, the NHCOCF3 analog proved to be a selective inhibitor of NagZ over other glucosaminidases including human O-GlcNAcase and lysosomal hexosaminidases HexA and B...
May 17, 2017: Organic & Biomolecular Chemistry
Haican Dai, Sisi Yu, Wanli Cheng, Ze-Feng Xu, Chuan-Ying Li
A tandem reaction of 4-(1-acetoxyallyl)-1-sulfonyl-1,2,3-triazole including formation of α-imino rhodium carbene, 1,2-migration of an acetoxy group and six electron electrocyclic ring closure was reported. The migration of the OAc group with excellent chemoselectivity was the crucial process, leading to the formation of 1,2-dihydropyridine specifically in up to 90% yield. Several transformations of the dihydropyridine product were also achieved illustrating the potential of the protocol in organic synthesis...
May 17, 2017: Chemical Communications: Chem Comm
Jean'ne Shreeve, Yongxing Tang, Srinivas Dharavath, Gregory Imler, Damon Parrish
Since highly nitrated single nitrogen rich heterocycles are important motifs in high energy density materials, extensive studies for the development of such novel molecules have been underway. A highly energetic moiety, 3-dinitromethyl-5-nitramino-1,2,4-triazole, which consists of a triazole ring, and nitramino and dinitromethyl groups, has been designed and synthesized. By pairing with nitrogen rich cations, several ionic derivatives were obtained. Theoretical and experimental studies show that the hydroxylammonium salt (7) is highly dense, and has excellent detonation performance with acceptable thermal stablity and sensitivities, which are superior to those of RDX...
May 16, 2017: Chemistry: a European Journal
Guilherme Carneiro Montes, Bianca Nascimento Monteiro da Silva, Bismarck Rezende, Roberto Takashi Sudo, Vitor Francisco Ferreira, Fernando de Carvalho da Silva, Angelo da Cunha Pinto, Bárbara Vasconcellos da Silva, Gisele Zapata-Sudo
5'-4-Alkyl/aryl-1H-1,2,3-triazole derivatives PILAB 1-12 were synthesized and a pharmacological screening of these derivatives was performed to identify a possible effect on the Central Nervous System (CNS) and to explore the associated mechanisms of action. The mice received a peritoneal injection (100 µmol/kg) of each of the 12 PILAB derivatives 10 min prior to the injection of pentobarbital and the mean hypnosis times were recorded. The mean hypnosis time increased for the mice treated with PILAB 8, which was prevented when mice were administered CTOP, a µ-opioid antagonist...
May 16, 2017: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
Liam Slade, Julia Chalker, Nidhi Kuksal, Adrian Young, Danielle Gardiner, Ryan J Mailloux
Pyruvate dehydrogenase (PDHC) and α-ketoglutarate dehydrogenase complex (KGDHC) are important sources of reactive oxygen species (ROS). In addition, it has been found that mitochondria can also serve as sinks for cellular hydrogen peroxide (H2O2). However, the ROS forming and quenching capacity of liver mitochondria has never been thoroughly examined. Here, we show that mouse liver mitochondria use catalase, glutathione (GSH), and peroxiredoxin (PRX) systems to quench ROS. Incubation of mitochondria with catalase inhibitor 3-amino-1,2,4-triazole (triazole) induced a significant increase in pyruvate or α-ketoglutarate driven O2(●-)/H2O2 formation...
May 12, 2017: Biochimica et Biophysica Acta
Laurent Sevaille, Laurent Gavara, Carine Bebrone, Filomena De Luca, Lionel Nauton, Maud Achard, Paola Mercuri, Silvia Tanfoni, Luisa Borgianni, Carole Guyon, Pauline Lonjon, Gülhan Turan-Zitouni, Julia Dzieciolowski, Katja Becker, Lionel Bénard, Ciaran Condon, Ludovic Maillard, Jean Martinez, Jean-Marie Frère, Otto Dideberg, Moreno Galleni, Jean-Denis Docquier, Jean-François Hernandez
Metallo-β-lactamases (MBL) cause resistance of Gram-negative bacteria to β-lactam antibiotics and are of serious concern because they can inactivate the last-resort carbapenems and because MBL inhibitors of clinical value are still lacking. We have previously identified the original binding mode of a 4-amino-1,2,4-triazole-3-thione compound, IIIA, within the di-zinc active site of the L1 MBL. Here, we present the crystallographic structure of a complex of L1 with the corresponding non-amino compound IIIB...
May 15, 2017: ChemMedChem
Jacob A Grant, Zhou Lu, David E Tucker, Bryony M Hockin, Dmitry S Yufit, Mark A Fox, Ritu Kataky, Victor Chechik, AnnMarie C O'Donoghue
Stable benzotriazinyl radicals (Blatter's radicals) recently attracted considerable interest as building blocks for functional materials. The existing strategies to derivatize Blatter's radicals are limited, however, and synthetic routes are complex. Here, we report that an inexpensive, commercially available, analytical reagent Nitron undergoes a previously unrecognized transformation in wet acetonitrile in the presence of air to yield a new Blatter-type radical with an amide group replacing a phenyl at the C(3)-position...
May 15, 2017: Nature Communications
Gabriel P Costa, Natália Seus, Juliano A Roehrs, Raquel G Jacob, Ricardo F Schumacher, Thiago Barcellos, Rafael Luque, Diego Alves
The use of sonochemistry is described in the organocatalytic enamine-azide [3 + 2] cycloaddition between 1,3-diketones and aryl azidophenyl selenides. These sonochemically promoted reactions were found to be amenable to a range of 1,3-diketones or aryl azidophenyl selenides, providing an efficient access to new ((arylselanyl)phenyl-1H-1,2,3-triazol-4-yl)ketones in good to excellent yields and short reaction times. In addition, this protocol was extended to β-keto esters, β-keto amides and α-cyano ketones...
2017: Beilstein Journal of Organic Chemistry
Mengen Zhai, Buying Li, Weixun Duan, Lin Jing, Bin Zhang, Meng Zhang, Liming Yu, Zhenhua Liu, Bo Yu, Kai Ren, Erhe Gao, Yang Yang, Hongliang Liang, Zhenxiao Jin, Shiqiang Yu
Sirtuins are a family of highly evolutionarily conserved nicotinamide adenine nucleotide-dependent histone deacetylases. Sirtuin-3 (SIRT3) is a member of the sirtuin family that is localized primarily to the mitochondria and protects against oxidative stress-related diseases, including myocardial ischemia/reperfusion (MI/R) injury. Melatonin has a favorable effect in ameliorating MI/R injury. We hypothesized that melatonin protects against MI/R injury by activating the SIRT3 signaling pathway. In this study, mice were pre-treated with or without a selective SIRT3 inhibitor and then subjected to MI/R operation...
May 13, 2017: Journal of Pineal Research
Na Cui, Hao Wang, Haibo Qiu, Ruoyu Li, Dawei Liu
The effect of different empirical antifungal agents on the clinical outcome of critically ill patients with invasive candidiasis (IC) has not been fully elucidated. In this study, 136 patients with proven IC who received empirical therapy in the China-SCAN multicentre study were retrospectively analysed. Initial empirical antifungal monotherapy consisted of a triazole [fluconazole (n = 61), voriconazole (n = 20) or itraconazole (n = 12)] or an echinocandin (n = 43). Hospital mortality as the primary outcome and global responses (clinical and microbiological) were assessed...
May 9, 2017: International Journal of Antimicrobial Agents
Yomna I El-Gazzar, Hanan H Georgey, Shahenda M El-Messery, Heba A Ewida, Ghada S Hassan, Marwa M Raafat, Menna A Ewida, Hussein I El-Subbagh
A new series of 2-mercapto-quinazolin-4-one analogues was designed, synthesized and evaluated for their in vitro DHFR inhibition, antitumor and antimicrobial activity. Compound 17 proved to be the most active DHFR inhibitor with IC50 value of 0.01μM, eight fold more active than methotrexate (MTX). Compounds 16 and 24 showed antitumor activity against human Caco2 colon and MCF-7 breast tumor cell lines with IC50 values of 25.4 and 9.5μg/ml, respectively. Compounds 15, 20, 21 and 30 showed considerable activity against the Gram-positive bacteria Staphylococcus aureus while 24 and 30 proved active against Bacillus subtilis with a magnitude of potency comparable to the broad spectrum antibiotic Ciprofloxacin...
May 4, 2017: Bioorganic Chemistry
Kelvin Pak Shing Cheung, Gavin Chit Tsui
We herein describe a Cu(I)-catalyzed interrupted click reaction, using (trifluoromethyl)trimethylsilane (TMSCF3) as a nucleophilic CF3 source, to synthesize 5-trifluoromethyl 1,2,3-triazoles in one step from readily available terminal alkynes and azides. The reaction shows complete regioselectivity, broad substrate scope, and good functional group tolerability. The application of the reaction has been demonstrated in the synthesis of a trifluoromethylated analog of antiepileptic drug rufinamide.
May 12, 2017: Organic Letters
René Jørgensen, Siri Rytcher Andersen, Karen Marie Thyssen Astvad, Maiken Cavling Arendrup
Isavuconazole (ISZ) is a newly available broad-spectrum triazole agent recently approved for the treatment of both invasive aspergillosis and mucormycosis. The aim of this study was to develop a simple and reliable method for therapeutic drug monitoring (TDM) of ISZ in human plasma samples. The method involves using a kit from ChromSystems intended for TDM of itraconazole (ITZ), posaconazole (PSZ), and voriconazole (VRZ) in serum/plasma for sample preparation and high-performance liquid chromatography, using fluorescence detection with emission and excitation wavelengths set to 261 and 366 nm, respectively...
May 2017: MSphere
Yongrong Li, Yusuke Washino, Tsuyoshi Hyakutake, Tsuyoshi Michinobu
Side chain clicked polystyrene derivatives formed by the Cu(I)-catalyzed azide-alkyne cycloaddition (CuAAC) reaction showed colorimetric ion sensing behaviors when donor-acceptor chromophores, prepared by a [2+2] cylcoladdition-retroelectrocyclization between electron-rich alkynes and tetracyanoethylene (TCNE)/7,7,8,8-tetracyanoquinodimethane (TCNQ), were attached to the triazole rings. The metal ion sensing behaviors could be explained according to the theory of hard and soft acids and bases (HSAB). Hard acidic metal ions were mainly recognized by the hard basic anilino-nitrogen moieties, resulting in a decrease in the charge-transfer (CT) bands...
2017: Analytical Sciences: the International Journal of the Japan Society for Analytical Chemistry
Harold Moloney, Nicholas Andrew Magnus, Jonas Y Buser, Matthew C Embry
An efficient three step synthesis of a series of fused bicyclic s-[1,2,4]triazolo[1,5-a]pyridines 1 was accomplished utilizing novel intermediates derived from inexpensive commercially available hydrazides A and methyl coumalate B. A significant feature of this approach was the formation of a dihydrazide intermediate 2, bypassing the need for oxidative N-N bond formation in the 1,2,4 triazole synthesis. Further purification of the dihydrazides 2, beyond simple isolation, proved unnecessary due to the impurity rejection afforded by the crystalline oxadiazolium salts 3...
May 12, 2017: Journal of Organic Chemistry
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