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https://www.readbyqxmd.com/read/28445965/molecular-docking-3d-qsar-and-structural-optimization-on-imidazo-pyridine-derivatives-dually-targeting-at1-and-pparg
#1
Jun Zhang, Qing-Qing Hao, Xin Liu, Zhi Jing, Wen-Qing Jia, Shu-Qing Wang, Wei-Ren Xu, Xian-Chao Cheng, Run-Ling Wang
Telmisartan, a bifunctional agent of blood pressure lowering and glycemia reduction, was previously reported to antagonize angiotensin II type 1 (AT1) receptor and partially activate peroxisome proliferator-activated receptor γ (PPARγ) simultaneously. Through the modification to telmisartan, researchers designed and obtained imidazo-\pyridine derivatives with the IC50s of 0.49~94.1 nM against AT1 and EC50s of 20~3640 nM towards PPARγ partial activation. For minutely inquiring the interaction modes with the relevant receptor and analyzing the structure-activity relationships, molecular docking and 3D-QSAR (Quantitative structure-activity relationships) analysis of these imidazo-\pyridines on dual targets were conducted in this work...
April 11, 2017: Oncotarget
https://www.readbyqxmd.com/read/28445760/determining-the-spatial-relationship-of%C3%A2-membrane-bound-aquaporin-4-autoantibodies-by-sted-nanoscopy
#2
John N Soltys, Stephanie A Meyer, Hannah Schumann, Emily A Gibson, Diego Restrepo, Jeffrey L Bennett
Determining the spatial relationship of individual proteins in dense assemblies remains a challenge for superresolution nanoscopy. The organization of aquaporin-4 (AQP4) into large plasma membrane assemblies provides an opportunity to image membrane-bound AQP4 antibodies (AQP4-IgG) and evaluate changes in their spatial distribution due to alterations in AQP4 isoform expression and AQP4-IgG epitope specificity. Using stimulated emission depletion nanoscopy, we imaged secondary antibody labeling of monoclonal AQP4-IgGs with differing epitope specificity bound to isolated tetramers (M1-AQP4) and large orthogonal arrays of AQP4 (M23-AQP4)...
April 25, 2017: Biophysical Journal
https://www.readbyqxmd.com/read/28445757/action-of-antimicrobial-peptides-on-bacterial-and-lipid-membranes-a-direct-comparison
#3
Joseph E Faust, Pei-Yin Yang, Huey W Huang
The bacterial membrane represents an attractive target for the design of new antibiotics to combat widespread bacterial resistance. Understanding how antimicrobial peptides (AMPs) and other membrane-active agents attack membranes could facilitate the design of new, effective antimicrobials. Despite intense study of AMPs on model membranes, we do not know how well the mechanism of attack translates to real biological membranes. To that end, we have characterized the attack of AMPs on Escherichia coli cytoplasmic membranes and directly compared this action to model membranes...
April 25, 2017: Biophysical Journal
https://www.readbyqxmd.com/read/28445746/crosstalk-and-the-dynamical-modularity-of%C3%A2-feed-forward-loops-in-transcriptional-regulatory-networks
#4
Michael A Rowland, Ahmed Abdelzaher, Preetam Ghosh, Michael L Mayo
Network motifs, such as the feed-forward loop (FFL), introduce a range of complex behaviors to transcriptional regulatory networks, yet such properties are typically determined from their isolated study. We characterize the effects of crosstalk on FFL dynamics by modeling the cross regulation between two different FFLs and evaluate the extent to which these patterns occur in vivo. Analytical modeling suggests that crosstalk should overwhelmingly affect individual protein-expression dynamics. Counter to this expectation we find that entire FFLs are more likely than expected to resist the effects of crosstalk (≈20% for one crosstalk interaction) and remain dynamically modular...
April 25, 2017: Biophysical Journal
https://www.readbyqxmd.com/read/28445622/thiocarbohydrates-on-gold-nanoparticles-strong-influences-of-stereocenters-on-binding-affinitiy-and-interparticle-forces
#5
Torsten Linker, Prashant Pavashe, Werner Fudickar
Carbohydrates carrying thiol groups at the C-2 position have been attached to gold nanoparticles (AuNP) with stereocenters in close proximity to the surface for the first time. Their configurations can be clearly distinguished by the tendency of particle aggregation. AuNP surface plasmon resonance (SPR), x-ray photoelectron spectroscopy (XPS), and IR spectroscopy indicate that the thiocarbohydrates replace citrate molecules at different rates causing aggregation and eventually precipitation. A quantitative formulation of this aggregation process shows that reactivities can vary by several magnitudes...
April 26, 2017: Chemistry: a European Journal
https://www.readbyqxmd.com/read/28445195/protective-effect-of-botulinum-toxin-type-a-against-atopic-dermatitis-like-skin-lesions-in-nc-nga-mice
#6
Sang Bum Han, Hyeree Kim, Sang Hyun Cho, Jin Ho Chung, Hei Sung Kim
BACKGROUND: Botulinum neurotoxin (BTX) A possesses various biological activities, including anti-inflammatory and antipruritic actions. Human and animal studies have shown that BTX is effective in treating histamine-induced itch, lichen simplex chronicus, psoriasis, rosacea, allergic rhinitis, and scar prevention. However, its effect on atopic dermatitis (AD) has not been studied yet. OBJECTIVE: To examine the effect of BTX on AD using a mouse model. The primary outcome was skin thickness and transepidermal water loss (TEWL), and the secondary outcome was the alteration in skin severity scores, histological, and laboratory test results...
April 24, 2017: Dermatologic Surgery: Official Publication for American Society for Dermatologic Surgery [et Al.]
https://www.readbyqxmd.com/read/28445180/activation-of-the-cxcr4-chemokine-receptor-enhances-biological-functions-associated-with-b16-melanoma-liver-metastasis
#7
Mayela Mendt, Jose E Cardier
The CXCR4 chemokine receptor plays an essential role in the homing of cells to organs expressing its ligand, CXCL12. CXCR4 expressed on tumor cells might regulate their traffic during metastasis. Here, we investigated whether the activation of CXCR4 on B16 murine melanoma cells regulates biological functions associated with metastasis, in vitro and in vivo. Flow cytometry and PCR analysis showed that B16 constitutively expresses high levels of CXCR4 (CXCR4-B16). Biological assays showed that the activation of CXCR4, by its ligand CXCL12, increases the migration, invasion, and proliferation of CXCR4-B16...
April 25, 2017: Melanoma Research
https://www.readbyqxmd.com/read/28445128/3-dimensional-micropillar-drug-screening-identifies-fgfr2-iiic-overexpression-as-a-potential-target-in-metastatic-giant-cell-tumor
#8
Seung Tae Kim, Jusun Kim, Sumin Shin, Sun Young Kim, Dongwoo Lee, Bosung Ku, Yong Sung Shin, Jhingook Kim, Jeeyun Lee
We established two patient derived tumor cells (PDCs) from right and left pulmonary metastatic lesions respectively of a patient with giant cell tumor. At that time, patient-derived tumor cells from right and left surgical specimens were collected and cultured. High-throughput screening (HTS) for 24 drugs was conducted with a micropillar/microwell chip platform using giant cell tumor PDCs. Using 6 doses per drug in 6 replicates for giant cell tumor PDCs, the dose response curves and corresponding IC50 values were calculated from the scanned images using the S+ Chip Analyzer...
April 6, 2017: Oncotarget
https://www.readbyqxmd.com/read/28445065/neomacrophorin-x-a-4-4-3-propellane-type-meroterpenoid-from-trichoderma-sp-1212-03
#9
Kazuaki Kusakabe, Yuna Honmura, Shota Uesugi, Akio Tonouchi, Hayato Maeda, Ken-Ichi Kimura, Hiroyuki Koshino, Masaru Hashimoto
Neomacrophorin X (1) was isolated from Trichoderma sp. 1212-03. Heteronuclear multiple bond correlation (HMBC) spectral analysis indicated a unique [4.4.3]propellane framework, which was verified by the (1)H and (13)C chemical shift calculations based on density functional theory (DFT) and subsequent comparison with experimental data obtained in CDCl3. The DFT-based electronic circular dichroism (ECD) calculations were effective in not only determining the absolute configuration but also confirming the relative structure...
April 26, 2017: Journal of Natural Products
https://www.readbyqxmd.com/read/28445053/sulfotransferases-and-breast-cancer-resistance-protein-determine-the-disposition-of-calycosin-in-vitro-and-in-vivo
#10
Jia Yu, Lijun Zhu, Haihui Zheng, Xia Gong, Jianghuang Yu, Jiamei Chen, Yuhuan Li, Hongming Zheng, Xiaoxiao Qi, Ying Wang, Ming Hu, Linlin Lu, Zhong Qiu Liu
Sulfation is a key process of drugs disposition that generally regulates the drug effectiveness and toxicity. Calycosin derived from the dry root extract of Radix Astragali exhibits a variety of biological effects that easily undergo extensive phase II metabolism. However, the sulfation pathway of calycosin lacks information. We investigated the disposition mechanisms of calycosin sulfate in vitro and in vivo. We characterized the sulfation metabolism and excretion of calycosin using bi-directional transport studies...
April 26, 2017: Molecular Pharmaceutics
https://www.readbyqxmd.com/read/28444961/biodiversity-and-ecosystem-function-making-sense-of-numerous-species-interactions-in-multi-species-communities
#11
Caroline Brophy, Áine Dooley, Laura Kirwan, John A Finn, Jack McDonnell, Thomas Bell, Marc W Cadotte, John Connolly
Understanding the biodiversity and ecosystem function relationship can be challenging in species-rich ecosystems. Traditionally, species richness has been relied on heavily to explain changes in ecosystem function across diversity gradients. Diversity-Interactions models can test how ecosystem function is affected by species identity, species interactions and evenness, in addition to richness. However, in a species-rich system, there may be too many species interactions to allow estimation of each coefficient, and if all interaction coefficients are estimable, they may be devoid of any sensible biological meaning...
April 26, 2017: Ecology
https://www.readbyqxmd.com/read/28444928/antiinflammatory-activity-of-cinnamon-cinnamomum-zeylanicum-bark-essential-oil-in-a-human-skin-disease-model
#12
Xuesheng Han, Tory L Parker
The effect of cinnamon (Cinnamomum zeylanicum) bark essential oil (CBEO) on human skin cells has not been elucidated. Therefore, we investigated the activity of a commercially available CBEO in a validated human dermal fibroblast system, a model of chronic inflammation and fibrosis. We first evaluated the impact of CBEO on 17 protein biomarkers that play critical roles in inflammation and tissue remodeling. The impact of CBEO on genome-wide gene expression was also evaluated. CBEO showed strong anti-proliferative effects on skin cells and significantly inhibited the production of several inflammatory biomarkers, including vascular cell adhesion molecule-1, intercellular cell adhesion molecule-1, monocyte chemoattractant protein-1, interferon gamma-induced protein 10, interferon-inducible T-cell alpha chemoattractant, and monokine induced by gamma interferon...
April 26, 2017: Phytotherapy Research: PTR
https://www.readbyqxmd.com/read/28444619/the-reference-cube-a-new-ballistic-model-to-generate-staining-in-firearm-barrels
#13
Christian Schyma, Kristina Bauer, Julia Brünig
After contact shots to the head biological traces can be found inside firearm barrels. So far silicone coated, gelatin filled box models were used to generate such staining according to the triple contrast method (mixture of acrylic paint, barium sulfate and blood sealed in a thin foil bag). This study was conducted to develop a transparent ballistic model allowing contact shots. Gelatin filled polyethylene bottles with and without a silicone coat were tested in comparison to non-covered gelatin blocks. Finally, thin foil bags of 5 cm × 5 cm dimension were glued on a synthetic absorbent kitchen wipe on top of which 1 L 10% gelatin solution was molded to create blocks of 8...
April 25, 2017: Forensic Science, Medicine, and Pathology
https://www.readbyqxmd.com/read/28444382/xylem-traits-leaf-longevity-and-growth-phenology-predict-growth-and-mortality-response-to-defoliation-in-northern-temperate-forests
#14
Jane R Foster
Defoliation outbreaks are biological disturbances that alter tree growth and mortality in temperate forests. Trees respond to defoliation in many ways; some recover rapidly, while others decline gradually or die. Functional traits such as xylem anatomy, growth phenology or non-structural carbohydrate (NSC) storage could explain these responses, but idiosyncratic measures used by defoliation studies have frustrated efforts to generalize among species. Here, I test for functional differences with published growth and mortality data from 37 studies, including 24 tree species and 11 defoliators from North America and Eurasia...
April 21, 2017: Tree Physiology
https://www.readbyqxmd.com/read/28444127/hla-class-i-binding-prediction-via-convolutional-neural-networks
#15
Yeeleng S Vang, Xiaohui Xie
Motivation: Many biological processes are governed by protein-ligand interactions. One such example is the recognition of self and nonself cells by the immune system. This immune response process is regulated by the major histocompatibility complex (MHC) protein which is encoded by the human leukocyte antigen (HLA) complex. Understanding the binding potential between MHC and peptides can lead to the design of more potent, peptide-based vaccines and immunotherapies for infectious autoimmune diseases...
April 21, 2017: Bioinformatics
https://www.readbyqxmd.com/read/28444076/variable-mechanical-ventilation
#16
Paula Caitano Fontela, Renata Bernardy Prestes, Luiz Alberto Forgiarini, Gilberto Friedman
Objective: To review the literature on the use of variable mechanical ventilation and the main outcomes of this technique. Methods: Search, selection, and analysis of all original articles on variable ventilation, without restriction on the period of publication and language, available in the electronic databases LILACS, MEDLINE®, and PubMed, by searching the terms "variable ventilation" OR "noisy ventilation" OR "biologically variable ventilation". Results: A total of 36 studies were selected...
January 2017: Revista Brasileira de Terapia Intensiva
https://www.readbyqxmd.com/read/28443888/sugar-peptidic-bond-interactions-spectroscopic-characterization-of-a-model-system
#17
Ander Camiruaga, Imanol Usabiaga, Aran Insausti, Iker León, José A Fernández
Sugars are small carbohydrates which play numerous roles in living organisms such as storage of energy or as structural components. Modifications of specific sites within the glycan chain can modulate a carbohydrate's overall biological function as it happens with nucleic acids and proteins. Hence, identifying discrete carbohydrate modifications and understanding their biological effects is essential. A study of such processes requires of a deep knowledge of the interaction mechanism at the molecular level...
April 26, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28443845/passive-and-active-colloidal-chemotaxis-in-a-microfluidic-channel-mesoscopic-and-stochastic-models
#18
Laurens Deprez, Pierre de Buyl
Chemotaxis is the response of a particle to a gradient in the chemical composition of the environment. While it was originally observed for biological organisms, it is of great interest in the context of synthetic active particles such as nanomotors. Experimental demonstration of chemotaxis for chemically-powered colloidal nanomotors was reported in the literature in the context of chemo-attraction in a still fluid or in a microfluidic channel where the gradient is sustained by a specific inlet geometry. In this work, we use mesoscopic particle-based simulations of the colloid and solvent to demonstrate chemotaxis in a microfluidic channel...
April 26, 2017: Soft Matter
https://www.readbyqxmd.com/read/28443722/reflections-on-o2-as-a-biosignature-in-exoplanetary-atmospheres
#19
Victoria S Meadows
Oxygenic photosynthesis is Earth's dominant metabolism, having evolved to harvest the largest expected energy source at the surface of most terrestrial habitable zone planets. Using CO2 and H2O-molecules that are expected to be abundant and widespread on habitable terrestrial planets-oxygenic photosynthesis is plausible as a significant planetary process with a global impact. Photosynthetic O2 has long been considered particularly robust as a sign of life on a habitable exoplanet, due to the lack of known "false positives"-geological or photochemical processes that could also produce large quantities of stable O2...
April 26, 2017: Astrobiology
https://www.readbyqxmd.com/read/28443654/quantifying-the-self-assembly-behavior-of-anisotropic-nanoparticles-using-liquid-phase-transmission-electron-microscopy
#20
Binbin Luo, John W Smith, Zihao Ou, Qian Chen
For decades, one of the overarching objectives of self-assembly science has been to define the rules necessary to build functional, artificial materials with rich and adaptive phase behavior from the bottom-up. To this end, the computational and experimental efforts of chemists, physicists, materials scientists, and biologists alike have built a body of knowledge that spans both disciplines and length scales. Indeed, today control of self-assembly is extending even to supramolecular and molecular levels, where crystal engineering and design of porous materials are becoming exciting areas of exploration...
April 26, 2017: Accounts of Chemical Research
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