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https://www.readbyqxmd.com/read/28743072/molecular-modeling-and-molecular-dynamics-simulation-study-of-archaeal-leucyl-trna-synthetase-in-complex-with-different-mischarged-trna-in-editing-conformation
#1
A V Rayevsky, M Sharifi, M A Tukalo
Aminoacyl-tRNA synthetases (aaRSs) play important roles in maintaining the accuracy of protein synthesis. Some aaRSs accomplish this via editing mechanisms, among which leucyl-tRNA synthetase (LeuRS) edits non-cognate amino acid norvaline mainly by post-transfer editing. However, the molecular basis for this pathway for eukaryotic and archaeal LeuRS remain unclear. In this study, a complex of archaeal P. horikoshii LeuRS (PhLeuRS) with misacylated tRNA(Leu) was modeled wherever tRNA's acceptor stem was oriented directly into the editing site...
July 18, 2017: Journal of Molecular Graphics & Modelling
https://www.readbyqxmd.com/read/28742600/cholesterol-reduction-and-macrophage-function-role-of-paraoxonases
#2
C Roger White, G M Anantharamaiah
PURPOSE OF REVIEW: Unregulated uptake of oxidized LDL by macrophages to form foam cells is the hallmark for atherosclerosis. The paraoxonase (PON) family of enzymes plays a critical role in attenuating atherosclerotic lesion formation by hydrolyzing lipid peroxides (LOOHs) and preventing the oxidation of LDL particles and by enhancing HDL-mediated cholesterol efflux. Findings in recent years suggest novel mechanisms by which PON isoforms interact with macrophages to regulate cholesterol metabolism and cellular function...
July 22, 2017: Current Opinion in Lipidology
https://www.readbyqxmd.com/read/28742253/precisely-designed-isopeptide-bridge-crosslinking-endows-artificial-hydrolases-with-predominant-stability-and-catalytic-activity-under-extreme-denaturing-conditions
#3
Yu Bai, Chao Wang, Guodong Liang, Wenqing Lai, Huifang Xue, Yanbo Ling, Maosheng Cheng, Keliang Liu
Enzymes normally lose their activities under extreme conditions due to the dissociation of their active tertiary structure. If an enzyme could maintain its catalytic activity under non physiological or denaturing conditions, it might be used in more applications in the pharmaceutical and chemical industries. Recently, we reported a coiled-coil six-helical bundle (6HB) structure as a scaffold for designing artificial hydrolytic enzymes. Here, intermolecular isopeptide bonds were incorporated to enhance the stability and activity of such biomolecules under denaturing conditions...
July 25, 2017: Chemistry, An Asian Journal
https://www.readbyqxmd.com/read/28742246/aquivion-pfsa-as-an-efficient-pickering-interfacial-catalyst-for-the-hydrolysis-of-triglycerides
#4
Marc Pera-Titus, Hui Shi, Bing Hong, Flora Fan
Aquivion® Perfluorosulfonic Superacid catalyzed efficiently the solvent-free hydrolysis of glyceryl trilaurate at 100 oC and ambient pressure via the genesis of stable Pickering emulsions.
July 25, 2017: ChemSusChem
https://www.readbyqxmd.com/read/28742020/symmetry-broken-and-rebroken-during-the-atp-hydrolysis-cycle-of-the-mitochondrial-hsp90-trap1
#5
Daniel Elnatan, Miguel Betegon, Yanxin Liu, Theresa Ramelot, Michael A Kennedy, David A Agard
Hsp90 is a homodimeric ATP-dependent molecular chaperone that remodels its substrate "client" proteins, facilitating their folding and activating them for biological function. Despite decades of research, the mechanism connecting ATP hydrolysis and chaperone function remains elusive. Particularly puzzling has been the apparent lack of cooperativity in hydrolysis of the ATP in each protomer. A crystal structure of the mitochondrial Hsp90, TRAP1, revealed that the catalytically active state is closed in a highly-strained asymmetric conformation...
July 25, 2017: ELife
https://www.readbyqxmd.com/read/28741940/directed-%C3%AE-c-h-amination-of-alcohols-via-radical-relay-chaperones
#6
Ethan A Wappes, Kohki M Nakafuku, David A Nagib
A radical-mediated strategy for β C-H amination of alcohols has been developed. This approach employs a radical relay chaperone, which serves as a traceless director that facilitates selective C-H functionalization via 1,5-hydrogen atom transfer (HAT) and enables net incorporation of ammonia at the β carbon of alcohols. The chaperones presented herein enable direct access to imidate radicals, allowing their first use for H atom abstraction. A streamlined protocol enables rapid conversion of alcohols to their β-amino analogs (via in situ conversion of alcohols to imidates, directed C-H amination, and hydrolysis to NH2)...
July 25, 2017: Journal of the American Chemical Society
https://www.readbyqxmd.com/read/28741675/pharmacokinetics-of-dinalbuphine-sebacate-and-nalbuphine-in-human-after-intramuscular-injection-of-dinalbuphine-sebacate-in-an-extended-release-formulation
#7
Yu En Tien, Wen-Chuan Huang, Hui-Yuan Kuo, Lily Tai, Yow-Shieng Uang, Wendy H Chern, Jin-Ding Huang
Nalbuphine is a semi-synthetic opioid indicated for the relief of moderate to severe pain. Its short half-life requires frequent injections in clinical practices, resulting in greater incidences of adverse events. We have developed a prodrug of nalbuphine, dinalbuphine sebacate (DNS), dissolved in a simple oil-based injectable formulation, which could deliver and maintain effective blood nalbuphine level. An open-label, prospective, two-period study was performed in healthy volunteers to verify the extended blood concentration profile of nalbuphine...
July 25, 2017: Biopharmaceutics & Drug Disposition
https://www.readbyqxmd.com/read/28741300/the-hotdog-fold-thioesterase-pa1618-catalytic-mechanism-revealed-by-x-ray-structure-determination-of-the-substrate-oxygen-ester-analog-complex
#8
John A Latham, Tianyang Ji, Kaila Matthews, Patrick Mariano, Karen N Allen, Debra Dunaway-Mariano
Thioesterase activity (hydrolysis of thioester bonds) accounts for the majority of the activities in the hotdog-fold superfamily. The structure and mechanism of catalysis for many hotdog enzymes have been elucidated by X-ray crystallography and kinetics to probe the specific substrate usage and cellular functions. However, structures of hotdog thioesterases in complex with substrate analogs reported to date utilize ligands that comprise either truncations of the substrate or include additional atoms to prevent the hydrolysis...
July 24, 2017: Chembiochem: a European Journal of Chemical Biology
https://www.readbyqxmd.com/read/28741279/identification-of-lead-molecules-in-garcinia-mangostana-l-against-pancreatic-cholesterol-esterase-activity-an-in-silico-approach
#9
George Kadakasseril Varghese, Rini Abraham, Nisha N Chandran, Solomon Habtemariam
Hypercholesterolemia is one of the major risk factors for the development and progression of atherosclerosis. Hence, inhibitors of cholesterol absorption have been investigated for decades as a strategy to prevent and treat cardiovascular diseases associated with hypercholesterolemia. Cholesterol esterase (CEase) in pancreatic juice plays a vital role in the hydrolysis of dietary cholesterol esters to cholesterol and fatty acids. Since inhibition of CEase might lead to a reduction of cholesterol absorption, an attempt is made in this study to identify lead molecules of Garcinia mangostana by the in silico approach...
July 24, 2017: Interdisciplinary Sciences, Computational Life Sciences
https://www.readbyqxmd.com/read/28741125/identification-of-carboxylate-phosphate-and-phenoxide-functionalities-in-deprotonated-molecules-related-to-drug-metabolites-via-ion-molecule-reactions-with-water-and-diethylhydroxyborane
#10
Hanyu Zhu, Xin Ma, John Y Kong, Minli Zhang, Hilkka I Kenttämaa
Tandem mass spectrometry based on ion-molecule reactions has emerged as a powerful tool for structural elucidation of ionized analytes. However, most currently used reagents were designed to react with protonated analytes, making them suboptimal for acidic analytes that are preferentially detected in negative ion mode. In this work we demonstrate that the phenoxide, carboxylate, and phosphate functionalities can be identified in deprotonated molecules by use of a combination of two reagents, diethylmethoxyborane (DEMB) and water...
July 24, 2017: Journal of the American Society for Mass Spectrometry
https://www.readbyqxmd.com/read/28740613/synthesis-and-biological-evaluation-of-paclitaxel-and-camptothecin-prodrugs-on-the-basis-of-2-nitroimidazole
#11
Chen Jin, Shuai Wen, Qiumeng Zhang, Qiwen Zhu, Jiahui Yu, Wei Lu
Due to the low esterase activity in human plasma, many ester and carbonate prodrugs tested in humans may be less effective than that in preclinical animals. In this letter, PTX and SN-38 were attached to the N-1 position of 2-nitroimidazole via a carbonate linker. Presumably, 2-aminoimidazole may help promote the intramolecular hydrolysis of the carbonate bond. The prodrugs exhibited a considerable stability in buffers at different pH values as well as in human plasma. Furthermore, a rapid reduction was exhibited in the presence of nitroreductase...
July 13, 2017: ACS Medicinal Chemistry Letters
https://www.readbyqxmd.com/read/28739279/eicosapentaenoic-acid-membrane-incorporation-impairs-cholesterol-efflux-from-cholesterol-loaded-human-macrophages-by-reducing-the-cholesteryl-ester-mobilization-from-lipid-droplets
#12
Natalie Fournier, Guillaume Sayet, Benoît Vedie, Maxime Nowak, Fatima Allaoui, Audrey Solgadi, Eric Caudron, Pierre Chaminade, Jean-François Benoist, Jean-Louis Paul
A diet containing a high n-3/n-6 polyunsaturated fatty acids (PUFA) ratio has cardioprotective properties. PUFAs incorporation into membranes influences the function of membrane proteins. We investigated the impact of the membrane incorporation of PUFAs, especially eicosapentaenoic acid (EPA) (C20:5 n-3), on the anti-atherogenic cholesterol efflux pathways. We used cholesteryl esters (CE)-loaded human monocyte-derived macrophages (HMDM) to mimic foam cells exposed to the FAs for a long period of time to ensure their incorporation into cellular membranes...
July 21, 2017: Biochimica et Biophysica Acta
https://www.readbyqxmd.com/read/28738642/terminal-protection-mediated-autocatalytic-cascade-amplification-coupled-with-graphene-oxide-fluorescence-switch-for-sensitive-and-rapid-detection-of-folate-receptor
#13
Rui Wang, Xiaowen Xu, Pei Li, Yan Wang, Wei Jiang
Folate receptor (FR) is over-expressed in most human tumors and has been regarded as biomarker and therapeutic target. Specific and sensitive detection of FR is essential for tumor treatment and drug development. Here, a specific, sensitive and rapid FR detection strategy was proposed based on terminal protection-mediated autocatalytic cascade amplification coupled with graphene oxide fluorescence switch. Firstly, the specific binding of FR to the folate terminally-labeled on a primary trigger DNA (PT-DNA) could protect the PT-DNA from exonuclease I degradation, converting FR detection to PT-DNA detection...
November 1, 2017: Talanta
https://www.readbyqxmd.com/read/28738576/development-of-ph-responsive-polymer-and-citrate-aqueous-two-phase-system-for-extractive-bioconversion-of-cefprozil
#14
Jialing Chen, Zhaoyang Ding, Hongxia Pan, Xuejun Cao
A pH-responsive aqueous two-phase system (pH-ATPS) has been developed by sodium citrate and a recyclable pH-responsive polymer PADB6.8 that can response to the change of pH values. Phase separation mechanism is studied through Low field-NMR. All variables affecting the phase separation are evaluated. Phase characteristics (viscosity, density, interfacial tension) and phase separation kinetic are studied for understanding of separation process and operational parameters in applications. This pH-ATPS has the characters of low interfacial tension, high recovery leading efficient mass transfer and low cost...
November 1, 2017: Talanta
https://www.readbyqxmd.com/read/28738561/silver-triangular-nanoplates-as-an-high-efficiently-fret-donor-acceptor-of-upconversion-nanoparticles-for-ultrasensitive-turn-on-off-protamine-and-trypsin-sensor
#15
Hongyu Chen, Aijin Fang, Youyu Zhang, Shouzhuo Yao
Silver triangular nanoplates (STNPs) as a high efficient fluorescence quenching reagent of upconversion nanoparticles (UCNPs) was used to constract a novel label-free fluorescence nanosensor for ultrasensitive detection of protamine and trypsin based on fluorescence resonance energy transfer (FRET) between STNPs and UCNPs. In this assay, the negatively charged STNPs can bind with positively charged UCNPs through electrostatic interaction, and then quenched the fluorescence of UCNPs. When protamine was added to the mixture of UCNPs-STNPs, the STNPs interacted with protamine and then detached from the surface of UCNPs and aggregated, which result in the recovery of the fluorescence of UCNPs...
November 1, 2017: Talanta
https://www.readbyqxmd.com/read/28738551/biomass-saccharification-is-largely-enhanced-by-altering-wall-polymer-features-and-reducing-silicon-accumulation-in-rice-cultivars-harvested-from-nitrogen-fertilizer-supply
#16
Zahoor, Dan Sun, Ying Li, Jing Wang, Yuanyuan Tu, Yanting Wang, Zhen Hu, Shiguang Zhou, Lingqiang Wang, Guosheng Xie, Jianliang Huang, Aftab Alam, Liangcai Peng
In this study, two rice cultivars were collected from experimental fields with seven nitrogen fertilizer treatments. All biomass samples contained significantly increased cellulose contents and reduced silica levels, with variable amounts of hemicellulose and lignin from different nitrogen treatments. Under chemical (NaOH, CaO, H2SO4) and physical (hot water) pretreatments, biomass samples exhibited much enhanced hexoses yields from enzymatic hydrolysis, with high bioethanol production from yeast fermentation...
July 12, 2017: Bioresource Technology
https://www.readbyqxmd.com/read/28738195/proteomic-and-genetics-insights-on-the-response-of-the-bacteriocinogenic-lactobacillus-sakei-crl1862-during-biofilm-formation-on-stainless-steel-surface-at-10%C3%A2-c
#17
Mariana Pérez-Ibarreche, Lucía M Mendoza, Graciela Vignolo, Silvina Fadda
Some lactic acid bacteria have the ability to form biofilms on food-industry surfaces and this property could be used to control food pathogens colonization. Lactobacillus sakei CR1862 was selected considering its bacteriocinogenic nature and ability to adhere to abiotic surfaces at low temperatures. In this study, the proteome of L. sakei CRL1862 grown either under biofilm on stainless steel surface and planktonic modes of growth at 10°C, was investigated. Using two-dimensional gel electrophoresis, 29 out of 43 statistically significant spots were identified by matrix-assisted laser desorption/ionization time-of-flight mass spectrometry...
July 4, 2017: International Journal of Food Microbiology
https://www.readbyqxmd.com/read/28737906/role-of-the-protein-dimeric-interface-in-allosteric-inhibition-of-n-acetyl-aspartate-hydrolysis-by-human-aspartoacylase
#18
Ekaterina D Kots, Sofya V Lushchekina, Sergey D Varfolomeev, Alexander V Nemukhin
The results of molecular modeling suggest a mechanism of allosteric inhibition upon hydrolysis of N-acetyl-aspartate (NAA), one of the most abundant amino acid derivatives in brain, by human aspartoacylase (hAsp). Details of this reaction are important to suggest the practical ways to control the enzyme activity. Search for allosteric sites using the Allosite web server and SiteMap analysis allowed us to identify substrate binding pockets located at the interface between the subunits of the hAsp dimer molecule...
July 24, 2017: Journal of Chemical Information and Modeling
https://www.readbyqxmd.com/read/28737785/how-to-obtain-pt-iv-complexes-suitable-for-conjugation-to-nanovectors-from-the-oxidation-of-ptcl-terpyridine
#19
E Gabano, E Perin, C Fielden, J A Platts, A Gallina, B Rangone, M Ravera
Oxidation of [Pt((II))Cl(terpy)](+) (terpy = 2,2':6',2''-terpyridine) has been attempted with several oxidizing agents and under different experimental conditions in order to obtain a Pt(iv) complex suitable for the conjugation to nanovectors to be used in drug delivery targeting for anticancer therapy. The best compromise in terms of yield and purity of the final complex was obtained by microwave-assisted reaction at 70 °C in 50% aqueous H2O2 for 2 h. Under these conditions the quantitative formation of [Pt((IV))Cl(OH)2(terpy)](+) was observed...
July 24, 2017: Dalton Transactions: An International Journal of Inorganic Chemistry
https://www.readbyqxmd.com/read/28737453/the-metabolism-and-drug-drug-interaction-potential-of-the-selective-prostacyclin-receptor-agonist-selexipag
#20
Carmela Gnerre, Jérôme Segrestaa, Swen Seeland, Päivi Äänismaa, Thomas Pfeifer, Stephane Delahaye, Ruben de Kanter, Tomohiko Ichikawa, Tetsuhiro Yamada, Alexander Treiber
- The metabolism of selexipag has been studied in vivo in man and the main excreted metabolites were identified. Also, metabolites circulating in human plasma have been structurally identified and quantified. - The main metabolic pathway of selexipag in man is the formation of the active metabolite ACT-333679. Other metabolic pathways include oxidation and dealkylation reactions. All primary metabolites undergo subsequent hydrolysis of the sulphonamide moiety to their corresponding acids. ACT-333679 undergoes conjugation with glucuronic acid and aromatic hydroxylation to P10, the main metabolite detected in human faeces...
July 24, 2017: Xenobiotica; the Fate of Foreign Compounds in Biological Systems
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