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https://www.readbyqxmd.com/read/28820442/tuning-properties-of-iron-oxide-nanoparticles-in-aqueous-synthesis-without-ligands-to-improve-mri-relaxivity-and-sar
#1
Debora Bonvin, Duncan T L Alexander, Angel Millán, Rafael Piñol, Beatriz Sanz, Gerardo F Goya, Abelardo Martínez, Jessica A M Bastiaansen, Matthias Stuber, Kurt J Schenk, Heinrich Hofmann, Marijana Mionić Ebersold
Aqueous synthesis without ligands of iron oxide nanoparticles (IONPs) with exceptional properties still remains an open issue, because of the challenge to control simultaneously numerous properties of the IONPs in these rigorous settings. To solve this, it is necessary to correlate the synthesis process with their properties, but this correlation is until now not well understood. Here, we study and correlate the structure, crystallinity, morphology, as well as magnetic, relaxometric and heating properties of IONPs obtained for different durations of the hydrothermal treatment that correspond to the different growth stages of IONPs upon initial co-precipitation in aqueous environment without ligands...
August 18, 2017: Nanomaterials
https://www.readbyqxmd.com/read/28820254/blockade-of-asparagine-endopeptidase-inhibits-cancer-metastasis
#2
Qi Qi, Obiamaka Obianyo, Yuhong Du, Haian Fu, Shiyong Li, Keqiang Ye
Asparagine endopeptidase (AEP), also called legumain, is highly expressed in various solid tumors, promoting cancer cell invasion, migration, and metastasis. It has been proposed to be a prognostic marker and therapeutic target for cancer treatment. However, an effective nonpeptide, small-molecule inhibitor against this protease has not yet been identified. Here we show that a family of xanthine derivatives selectively inhibit AEP and suppress matrix metalloproteinase (MMP) cleavage, leading to the inhibition of cancer metastasis...
August 18, 2017: Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28819684/comparison-of-transcriptome-profiles-by-fusarium-oxysporum-inoculation-between-fusarium-yellows-resistant-and-susceptible-lines-in-brassica-rapa-l
#3
Naomi Miyaji, Motoki Shimizu, Junji Miyazaki, Kenji Osabe, Maho Sato, Yusuke Ebe, Satoko Takada, Makoto Kaji, Elizabeth S Dennis, Ryo Fujimoto, Keiichi Okazaki
Resistant and susceptible lines in Brassica rapa have different immune responses against Fusarium oxysporum inoculation. Fusarium yellows caused by Fusarium oxysporum f. sp. conglutinans (Foc) is an important disease of Brassicaceae; however, the mechanism of how host plants respond to Foc is still unknown. By comparing with and without Foc inoculation in both resistant and susceptible lines of Chinese cabbage (Brassica rapa var. pekinensis), we identified differentially expressed genes (DEGs) between the bulked inoculated (6, 12, 24, and 72 h after inoculation (HAI)) and non-inoculated samples...
August 17, 2017: Plant Cell Reports
https://www.readbyqxmd.com/read/28818753/benzoylsalicylic-acid-derivatives-as-defense-activators-in-tobacco-and-arabidopsis
#4
Samuel Kamatham, Reddanna Pallu, Anil Kumar Pasupulati, Surya Satyanarayana Singh, Padmaja Gudipalli
Systemic acquired resistance (SAR) is a long lasting inducible whole plant immunity often induced by either pathogens or chemical elicitors. Salicylic acid (SA) is a known SAR signal against a broad spectrum of pathogens in plants. In a recent study, we have reported that benzoylsalicylic acid (BzSA) is a SAR inducer in tobacco and Arabidopsis plants. Here, we have synthesized BzSA derivatives using SA and benzoyl chlorides of various moieties as substrates. The chemical structures of BzSA derivatives were elucidated using Infrared spectroscopy (IR), Nuclear magnetic spectroscopy (NMR) and High-resolution mass spectrometer (HRMS) analysis...
August 14, 2017: Phytochemistry
https://www.readbyqxmd.com/read/28818644/radioecological-assessment-and-radiometric-dating-of-sediment-cores-from-dynamic-sedimentary-systems-of-pra-and-volta-estuaries-ghana-along-the-equatorial-atlantic
#5
E Klubi, J M Abril, E Nyarko, A Laissaoui, M Benmansour
The Volta and Pra estuaries (Ghana, West Africa) are dynamical sedimentary systems whose natural equilibrium is being affected by anthropogenic activities. This paper reports depth-distributions of (210)Pb, (226)Ra, (234)Th, (40)K, (228)Ra and (137)Cs for two sediment cores from these estuaries. Bulk densities were not steady-state and well correlated with (40)K (p < 0.00005). Unsupported (210)Pb profiles were incomplete, non-monotonic and showed large fluctuations. The assumptions involved in the common (210)Pb-based dating models were not meet in these dynamical scenarios, and the use of (137)Cs as a time-marker is difficult in Equatorial and South-Hemisphere countries due to its low fallout rates...
August 14, 2017: Journal of Environmental Radioactivity
https://www.readbyqxmd.com/read/28817934/mannose-surfaces-exhibit-self-latching-water-structuring-and-resilience-to-chaotropes-implications-for-pathogen-virulence
#6
Hashanthi K Abeyratne-Perera, Preethi L Chandran
Several viral and fungal pathogens, including HIV, SARS, Dengue, Ebola and Cryptococcus neoformans, display a preponderance of mannose residues on their surface, particularly during the infection cycle or in harsh environments. The innate immune system, on the other hand, abounds in mannose receptors which recognize mannose residues on pathogens and trigger their phagocytosis. We pose the question if there is a surface advantage for pathogens to display mannose on their surface, despite these residues being recognized by the immune system...
August 17, 2017: Langmuir: the ACS Journal of Surfaces and Colloids
https://www.readbyqxmd.com/read/28816107/fishing-anti-inflammatories-from-known-drugs-in-silico-repurposing-design-synthesis-and-biological-evaluation-of-bisacodyl-analogues
#7
Maité Sylla-Iyarreta Veitía, Dany Siverio Mota, Vanessa Lerari, Marta Marín, Rosa M Giner, Liliana Vicet Muro, Yankier Rivero Guerra, Françoise Dumas, Clotilde Ferroud, Peter A M de Witte, Alexander D Crawford, Vicente J Arán, Yovani Marrero Ponce
Herein is described in silico repositioning, design, synthesis, biological evaluation and structure-activity relationship (SAR) of an original class of anti-inflammatory agents based on a polyaromatic pharmacophore structurally related to bisacodyl (BSL) drug used in therapeutic as laxative. We describe the potential of TOMOCOMD-CARDD methods to find out new anti-inflammatory drug-like agents from a diverse series of compounds using the total and local atom based bilinear indices as molecular descriptors. The models obtained were validated by biological studies, identifying BSL as the first anti-inflammatory lead-like using in silico repurposing from commercially available drugs...
August 17, 2017: Current Topics in Medicinal Chemistry
https://www.readbyqxmd.com/read/28815758/detection-of-cyprinid-herpesvirus-1-dna-in-cutaneous-squamous-cell-carcinoma-of-koi-carp-cyprinus-carpio
#8
Rubina Sirri, Sara Ciulli, Tim Barbé, Enrico Volpe, Maurizio Lazzari, Valeria Franceschini, Francesca Errani, Giuseppe Sarli, Luciana Mandrioli
BACKGROUND: Cutaneous squamous cell carcinoma (cSCC) is an uncommon disease affecting koi carp (Cyprinus carpio). Cutaneous papilloma (carp pox) is a benign epidermal proliferation reported in koi and has been shown to be caused by Cyprinid Herpesvirus 1 (CyHV1). HYPOTHESIS/OBJECTIVES: Histological, ultrastructural and molecular investigations were carried out aiming to investigate the aetiology of cSCC within archived tissue samples. ANIMALS: Surgical samples of masses located on the integument, fins and lips of 13 koi carp belonging to different private owners were included in this retrospective study...
August 16, 2017: Veterinary Dermatology
https://www.readbyqxmd.com/read/28811134/a-new-chemotype-inhibitor-for-the-human-organic-cation-transporter-3-hoct3
#9
Xiaolei Pan, Kavita A Iyer, Hebing Liu, Douglas H Sweet, Małgorzata Dukat
Human organic cation transporters (OCTs) represent an understudied neurotransmitter uptake mechanism for which no selective agents have yet been identified. Several neurotransmitters (e.g. serotonin, norepinephrine) are low-affinity substrates for these transporters, but possess higher affinity for other transporters (e.g. the serotonin or norepinephrine transporters; SERT and NET, respectively). We have identified a new class of OCT inhibitors with a phenylguanidine structural scaffold. Here, we examine the actions of a series of such compounds and report preliminary structure-activity relationships (SARs) - the first dedicated SAR study of OCT3 action...
August 5, 2017: Bioorganic & Medicinal Chemistry Letters
https://www.readbyqxmd.com/read/28809565/dipicolinic-acid-derivatives-as-inhibitors-of-new-delhi-metallo-%C3%AE-lactamase-1
#10
Allie Y Chen, Pei W Thomas, Alesha C Stewart, Alexander Bergstrom, Zishuo Cheng, Callie Miller, Christopher R Bethel, Steven H Marshall, Cy V Credille, Christopher L Riley, Richard C Page, Robert A Bonomo, Michael W Crowder, David L Tierney, Walter Fast, Seth M Cohen
The efficacy of β-lactam antibiotics is threatened by the emergence and global spread of metallo-β-lactamase-(MBL) mediated resistance, specifically New Delhi-Metallo-β- lactamase-1 (NDM-1). Utilizing fragment-based drug discovery (FBDD), a new class of inhibitors for NDM-1 and two related β-lactamases, IMP-1 and VIM-2, was identified. Based on 2,6-dipicolinic acid (DPA), several libraries were synthesized for structure-activity relationship (SAR) analysis. Inhibitor 36 (IC50 = 80 nM) was identified to be highly selective for MBLs when compared to other Zn(II) metalloenzymes...
August 15, 2017: Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28806697/photoelectron-spectra-and-biological-activity-of-cinnamic-acid-derivatives-revisited
#11
Igor Novak, Leo Klasinc, Sean P McGlynn
The electronic structures of several derivatives of cinnamic acid have been studied by UV photoelectron spectroscopy (UPS) and Green's function quantum chemical calculations. The spectra reveal the presence of dimers in the gas phase for p-coumaric and ferulic acids. The electronic structure analysis has been related to the biological properties of these compounds through the analysis of some structure-activity relationships (SAR).
August 10, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28806079/pilot-in-vivo-structure-activity-relationship-of-dihydromethys-ticin-in-blocking-4-methylnitrosamino-1-3-pyridyl-1-butanone-induced-o6-methylguanine-and-lung-tumor-in-a-j-mice
#12
Manohar Puppala, Sreekanth C Narayanapillai, Pablo Leitzman, Haifeng Sun, Pramod Upadhyaya, M Gerard O'Sullivan, Stephen S Hecht, Chengguo Xing
(+)-Dihydromethysticin was recently identified as a promising lung cancer chemopreventive agent while (+)-dihydrokavain was completely ineffective. A pilot in vivo structure-activity relationship (SAR) was explored, evaluating the efficacy of its analogs in blocking 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone-induced short-term O6-methylguanine and long-term adenoma formation in the lung tissues in A/J mice. Both results revealed cohesive SARs, demonstrating that the methylenedioxy functional group in DHM is essential while the lactone functional group tolerates modifications...
August 14, 2017: Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28803048/novel-unsaturated-glycyrrhetic-acids-derivatives-design-synthesis-and-anti-inflammatory-activity
#13
Bo Li, Shi Cai, Yong-An Yang, Shi-Chao Chen, Rui Chen, Jing-Bo Shi, Xin-Hua Liu, Wen-Jian Tang
To develop novel anti-inflammatory agents, a series of unsaturated glycyrrhetic acids were designed, synthesized and evaluated for anti-inflammatory activity using RAW264.7 cells. The structure-activity relationship (SAR) of NO inhibitory activity was analyzed. α,β-Unsaturated glycyrrhetic acids showed better activity, among them, compounds 6k and 6l with piperazine unit exhibited the most potent nitric oxide (NO) and interleukin-6 (IL-6) inhibitory activity (IC50 = 13.3 and 15.5 μM respectively). Furthermore, compound 6k could also significantly suppress LPS-induced iNOS and COX-2 expression and IL-6 production through MAPKs and NF-kB signaling pathway...
August 3, 2017: European Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28802631/the-design-and-sar-of-a-novel-series-of-2-aminopyridine-based-lrrk2-inhibitors
#14
Garrick P Smith, Lassina Badolo, Victoria Chell, I-Jen Chen, Kenneth Vielsted Christensen, Laurent David, Justus Alfred Daechsel, Morten Hentzer, Martin Christian Herzig, Gitte Kobberøe Mikkelsen, Stephen P Watson, Douglas S Williamson
Leucine-rich repeat kinase 2 (LRRK2) has attracted considerable interest as a therapeutic target for the treatment of Parkinson's disease. Compounds derived from a 2-aminopyridine screening hit were optimised using a LRRK2 homology model based on mixed lineage kinase 1 (MLK1), such that a 2-aminopyridine-based lead molecule 45, with in vivo activity, was identified.
August 1, 2017: Bioorganic & Medicinal Chemistry Letters
https://www.readbyqxmd.com/read/28802550/mr-coagulation-a-novel-minimally-invasive-approach-to-aneurysm-repair
#15
Ouri Cohen, Ming Zhao, Erez Nevo, Jerome L Ackerman
PURPOSE: To demonstrate a proof of concept of magnetic resonance (MR) coagulation, in which MR imaging scanner-induced radiofrequency (RF) heating at the end of an intracatheter long wire heats and coagulates a protein solution to effect a vascular repair by embolization. MATERIALS AND METHODS: MR coagulation was simulated by finite-element modeling of electromagnetic fields and specific absorption rate (SAR) in a phantom. A glass phantom consisting of a spherical cavity joined to the side of a tube was incorporated into a flow system to simulate an aneurysm and flowing blood with velocities of 0-1...
August 9, 2017: Journal of Vascular and Interventional Radiology: JVIR
https://www.readbyqxmd.com/read/28802121/identification-of-highly-potent-n-acylethanolamine-acid-amidase-naaa-inhibitors-optimization-of-the-terminal-phenyl-moiety-of-oxazolidone-derivatives
#16
Yuhang Li, Qi Chen, Longhe Yang, Yanting Li, Yang Zhang, Yan Qiu, Jie Ren, Canzhong Lu
N-acylethanolamine acid amidase (NAAA) is a cysteine hydrolase that participates in the deactivation of fatty acid ethanolamides, such as palmitoylethanolamide (PEA). NAAA inhibition may provide a potential therapeutic strategy for the treatment of diseases in which higher PEA level is desired. In the present study, we reported the structure-activity relationship (SAR) studies for oxazolidone derivatives as NAAA inhibitors. A series of substituents or alkyl replacements for the terminal phenyl ring of oxazolidone derivatives were examined...
August 3, 2017: European Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28802075/overcoming-severe-adverse-reactions-to-venom-immunotherapy-by-using-anti-ige-antibodies-in-combination-with-a-high-maintenance-dose
#17
Eva Stretz, Eva Maria Oppel, Räwer Helen-Caroline, René Chatelain, Sebastian Mastnik, Bernhard Przybilla, Franziska Ruëff
BACKGROUND: An omalizumab treatment and a high maintenance venom dose may both help to prevent recurrent systemic allergic reactions (SAR) to venom immunotherapy (VIT). The effectiveness of this combination therapy, however, is unclear. OBJECTIVE: We wanted to explore the possibility whether a temporary treatment with the anti-IgE antibody omalizumab, combined with a VIT using an elevated maintenance dose of >100 μg venom may establish a permanent tolerance of maintenance VIT...
August 12, 2017: Clinical and Experimental Allergy: Journal of the British Society for Allergy and Clinical Immunology
https://www.readbyqxmd.com/read/28801098/synthesis-and-in-vitro-evaluation-of-ca-2-channel-blockers-1-4-dihydropyridines-analogues-against-trypanosoma-cruzi-and-leishmania-amazonensis-sar-analysis
#18
Luiz A E Pollo, Milene H de Moraes, Júlia Cisilotto, Tânia B Creczynski-Pasa, Maique W Biavatti, Mario Steindel, Louis P Sandjo
Drugs containing the1,4-dihydropyridine (DHP) core have recently attracted attention concerning their antiparasitic effect against various species of Leishmania and Trypanosoma. This approach named drugs repositioning led to interesting results, which have prompted us to prepare 21 DHP's analogues. The 1,4-DHP scaffold was decorated with different function groups at tree points including the nitrogen atom (NH and N-phenyl), the aryl group attached to C-4 (various substituted aryl residues) and the carbon atoms 2 and 6 (bearing Ph or Me groups)...
August 8, 2017: Parasitology International
https://www.readbyqxmd.com/read/28801066/identification-of-pyrazolopyrimidine-arylsulfonamides-as-cc-chemokine-receptor-4-ccr4-antagonists
#19
Afjal H Miah, Aurelie C Champigny, Rebecca H Graves, Simon T Hodgson, Jonathan M Percy, Panayiotis A Procopiou
A novel 4-aminoindazole sulfonamide hit (13) was identified as a human CCR4 antagonists from testing a focussed library of compounds in the primary GTPγS assay. Replacing the indazole core with a pyrazolopyrimidine, and introduction of a methoxy group adjacent to the sulfonamide substituent, resulted in the identification of pyrazolopyrimidine 37a, which exhibited good binding affinity in the GTPγS assay (pIC50=7.2), low lipophilicity (clogP=2.2, chromlogD7.4=2.4), high LE (0.41), high solubility (CLND solubility ≥581µM), and an excellent PK profile in both the rat (F=62%) and the dog (F=100%)...
July 29, 2017: Bioorganic & Medicinal Chemistry
https://www.readbyqxmd.com/read/28799651/thermal-mapping-on-male-genital-and-skin-tissues-of-laptop-thermal-sources-and-electromagnetic-interaction
#20
Mahdi Safari, Navid Mosleminiya, Ali Abdolali
Since the development of communication devices and expansion of their applications, there have been concerns about their harmful health effects. The main aim of this study was to investigate laptop thermal effects caused by exposure to electromagnetic fields and thermal sources simultaneously; propose a nondestructive, replicable process that is less expensive than clinical measurements; and to study the effects of positioning any new device near the human body in steady state conditions to ensure safety by U...
August 11, 2017: Bioelectromagnetics
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