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https://www.readbyqxmd.com/read/28647618/genetic-and-ecological-processes-promoting-early-diversification-in-the-lowland-mesoamerican-bat-sturnira-parvidens-chiroptera-phyllostomidae
#1
Giovani Hernández-Canchola, Livia León-Paniagua
With 22 species, Sturnira is the most speciose genus of frugivorous Neotropical bats. Sturnira parvidens inhabits lowland tropical areas from Mexico to Central America. The elevation of this taxon to species level was recent, and discrepancies with respect to its geographic limits and phylogenetic position continue to exist. In order to identify genetic and ecological processes likely involved in the diversification and current distribution of S. parvidens, we evaluated relationships, researched phylogeographic and demographic history, and tested the divergence/conservatism of the climatic niche of this bat...
June 21, 2017: Molecular Phylogenetics and Evolution
https://www.readbyqxmd.com/read/28647221/effect-of-thermo-tolerant-actinomycetes-inoculation-on-cellulose-degradation-and-the-formation-of-humic-substances-during-composting
#2
Yi Zhao, Yue Zhao, Zhechao Zhang, Yuquan Wei, Huan Wang, Qian Lu, Yanjie Li, Zimin Wei
The inoculum containing four cellulolytic thermophilic actinomycetes was screened from compost samples, and was inoculated into co-composting during different inoculation phases. The effect of different inoculation phases on cellulose degradation, humic substances formation and the relationship between inoculation and physical-chemical parameters was determined. The results revealed that inoculation at different phases of composting improved cellulase activities, accelerated the degradation of cellulose, increased the content of humic substances and influenced the structure of actinomycetic community, but there were significant differences between different inoculation phases...
June 21, 2017: Waste Management
https://www.readbyqxmd.com/read/28646757/discovery-and-structure-activity-relationship-studies-of-2-benzylidene-2-3-dihydro-1h-inden-1-one-and-benzofuran-3-2h-one-derivatives-as-a-novel-class-of-potential-therapeutics-for-inflammatory-bowel-disease
#3
Tara Man Kadayat, Suhrid Banskota, Pallavi Gurung, Ganesh Bist, Til Bahadur Thapa Magar, Aarajana Shrestha, Jung-Ae Kim, Eung-Seok Lee
To develop effective therapeutics for inflammatory bowel disease (IBD), 2-benzylidene-2,3-dihydro-1H-inden-1-one and benzofuran-3(2H)-one derivatives, were designed and synthesized and their structure-activity relationships (SAR) were investigated. Compounds 7, 25, 26, 32, 39, 41, 52, 54, and 55 showed potent inhibitory effect (>70%) on the TNF-α-induced adhesion of monocytes to colon epithelial cells, which is one of the hallmark events leading to IBD. Such inhibitory activity of the compounds correlated with their suppressive activities against the TNF-α-induced production of ROS; ICAM-1 and MCP-1 expression, critical molecules involved in monocyte-epithelial adhesion; and NF-κB transcriptional activity...
June 10, 2017: European Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28646621/the-hydrophobic-side-chain-of-oseltamivir-influences-type-a-subtype-selectivity-of-neuraminidase-inhibitors
#4
Xiong Lin, Chen Qin-Hua, Li Peng, Li Chun-Lei, Yang Guang-De
Neuraminidase, which plays a critical role in the influenza virus life cycle, is a target for new therapeutic agents. The study of structure-activity relationships revealed that the C-5 position amino group of oseltamivir was pointed to 150-cavity of the neuraminidase in group-1. This cavity is important for selectivity of inhibitors against N1 versus N2 NA. A serial of influenza neuraminidase inhibitors with the oseltavimir scaffold containing lipophilic side chains at the C-5 position have been synthesized and evaluated for their influenza neuraminidase inhibitory activity and selectivity...
June 24, 2017: Chemical Biology & Drug Design
https://www.readbyqxmd.com/read/28646589/new-promising-method-for-the-challenging-synthesis-of-5-acyl-2-amino-3-cyanothiophenes-chemisry-and-fluorescent-properties
#5
Kseniya I Lugovik, Alexander K Eltyshev, Enrico Benassi, Nataliya P Belskaya
Independent of the substrate structure and reaction conditions, 2-cyano-3-aminothioacrilonitriles, which contains two active electrophilic centers, were shown to interact with various active halo methylene compounds under mild conditions to afford 5-acyl-2-amino-3-cyanothiophenes as the only products. A series of new polyfunctional thiophene derivatives with a rare combination of functionalities were synthesized and their photophysical properties were experimentally and computationally investigated. The calculated electronic characteristics of the ground and excited states were compared to the experimental results, which provided a good understanding of the relationship between the optoelectronic properties and the molecular structures...
June 24, 2017: Chemistry, An Asian Journal
https://www.readbyqxmd.com/read/28646341/steroidal-saponins-from-the-genus-smilax-and-their-biological-activities
#6
REVIEW
Li-Wen Tian, Zhen Zhang, Hai-Lan Long, Ying-Jun Zhang
The Smilax species, widely distributed in tropical region of the world and the warm areas of East Asia and North America, are extensively used as folk medicine to treat inflammatory disorders. Chemical investigation on Smilax species showed they are rich sources of steroidal saponins with diversified structure types, including spirostane, isospirostane, furostane, pregnane, and cholestane. This review mainly summarizes the steroidal saponins (1-104) reported from the genus Smilax between 1967 and 2016, and their biological activities...
June 23, 2017: Natural Products and Bioprospecting
https://www.readbyqxmd.com/read/28645623/identification-of-a-coumarin-based-antihistamine-as-an-anti-filoviral-entry-inhibitor
#7
Han Cheng, Adam Schafer, Veronica Soloveva, Dima Gharaibeh, Tara Kenny, Cary Retterer, Rouzbeh Zamani, Sina Bavari, Norton P Peet, Lijun Rong
Filoviruses, consisting of Ebola virus, Marburg virus and Cuevavirus, cause severe hemorrhagic fevers in humans with high mortality rates up to 90%. Currently, there is no approved vaccine or therapy available for the prevention and treatment of filovirus infection in humans. The recent 2013-2015 West African Ebola epidemic underscores the urgency to develop antiviral therapeutics against these infectious diseases. Our previous study showed that GPCR antagonists, particularly histamine receptor antagonists (antihistamines) inhibit Ebola and Marburg virus entry...
June 20, 2017: Antiviral Research
https://www.readbyqxmd.com/read/28645531/new-protein-structures-provide-an-updated-understanding-of-phenylketonuria
#8
REVIEW
Eileen K Jaffe
Phenylketonuria (PKU) and less severe hyperphenylalaninemia (HPA) constitute the most common inborn error of amino acid metabolism, and is most often caused by defects in phenylalanine hydroxylase (PAH) function resulting in accumulation of Phe to neurotoxic levels. Despite the success of dietary intervention in preventing permanent neurological damage, individuals living with PKU clamor for additional non-dietary therapies. The bulk of disease-associated mutations are PAH missense variants, which occur throughout the entire 452 amino acid human PAH protein...
June 15, 2017: Molecular Genetics and Metabolism
https://www.readbyqxmd.com/read/28645264/molecular-cloning-structure-phylogeny-and-expression-analysis-of-the-invertase-gene-family-in-sugarcane
#9
Liming Wang, Yuexia Zheng, Shihui Ding, Qing Zhang, Youqiang Chen, Jisen Zhang
BACKGROUND: Invertases (INVs) are key enzymes regulating sucrose metabolism and are here revealed to be involved in responses to environmental stress in plants. To date, individual members of the invertase gene family and their expression patterns are unknown in sugarcane due to its complex genome despite their significance in sucrose metabolism. RESULTS: In this study, based on comparative genomics, eleven cDNA and twelve DNA sequences belonging to 14 non-redundant members of the invertase gene family were successfully cloned from sugarcane...
June 23, 2017: BMC Plant Biology
https://www.readbyqxmd.com/read/28644840/linking-structure-and-activity-in-nonlinear-spiking-networks
#10
Gabriel Koch Ocker, Krešimir Josić, Eric Shea-Brown, Michael A Buice
Recent experimental advances are producing an avalanche of data on both neural connectivity and neural activity. To take full advantage of these two emerging datasets we need a framework that links them, revealing how collective neural activity arises from the structure of neural connectivity and intrinsic neural dynamics. This problem of structure-driven activity has drawn major interest in computational neuroscience. Existing methods for relating activity and architecture in spiking networks rely on linearizing activity around a central operating point and thus fail to capture the nonlinear responses of individual neurons that are the hallmark of neural information processing...
June 23, 2017: PLoS Computational Biology
https://www.readbyqxmd.com/read/28644829/swapping-the-n-and-c-terminal-domains-of-human-apolipoprotein-e3-and-ai-reveals-insights-into-their-structure-activity-relationship
#11
Mark T Lek, Siobanth Cruz, Nnejiuwa U Ibe, Wendy H J Beck, John K Bielicki, Paul M M Weers, Vasanthy Narayanaswami
Apolipoprotein (apo) E3 and apoAI are exchangeable apolipoproteins that play a dominant role in regulating plasma lipoprotein metabolism. ApoE3 (299 residues) is composed of an N-terminal (NT) domain bearing a 4-helix bundle and a C-terminal (CT) domain bearing a series of amphipathic α-helices. ApoAI (243 residues) also comprises a highly helical NT domain and a less structured CT tail. The objective of this study was to understand their structural and functional role by generating domain swapped chimeras: apoE3-NT/apoAI-CT and apoAI-NT/apoE-CT...
2017: PloS One
https://www.readbyqxmd.com/read/28644410/enhanced-antibacterial-activity-of-ent-labdane-derivatives-of-salvic-acid-7%C3%AE-hydroxy-8-17-ent-labden-15-oic-acid-effect-of-lipophilicity-and-the-hydrogen-bonding-role-in-bacterial-membrane-interaction
#12
Javier Echeverría, Alejandro Urzúa, Loreto Sanhueza, Marcela Wilkens
In the present study, the antibacterial activity of several ent-labdane derivatives of salvic acid (7α-hydroxy-8(17)-ent-labden-15-oic acid) was evaluated in vitro against the Gram-negative bacterium Escherichia coli and the Gram-positive bacteria Staphylococcus aureus and Bacillus cereus. For all of the compounds, the antibacterial activity was expressed as the minimum inhibitory concentration (MIC) in liquid media and minimum inhibitory amount (MIA) in solid media. Structure activity relationships (SAR) were employed to correlate the effect of the calculated lipophilicity parameters (logPow) on the inhibitory activity...
June 23, 2017: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/28644391/molecular-structure-affinity-relationship-of-flavonoids-in-lotus-leaf-nelumbo-nucifera-gaertn-on-binding-to-human-serum-albumin-and-bovine-serum-albumin-by-spectroscopic-method
#13
Xiaosheng Tang, Ping Tang, Liangliang Liu
Lotus leaf has gained growing popularity as an ingredient in herbal formulations due to its various activities. As main functional components of lotus leaf, the difference in structure of flavonoids affected their binding properties and activities. In this paper, the existence of 11 flavonoids in lotus leaf extract was confirmed by High Performance Liquid Chromatography (HPLC) analysis and 11 flavonoids showed various contents in lotus leaf. The interactions between lotus leaf extract and two kinds of serum albumins (human serum albumin (HSA) and bovine serum albumin (BSA)) were investigated by spectroscopic methods...
June 23, 2017: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/28643834/understanding-the-remarkable-luminescence-enhancement-via-sio2-coating-on-tio2-eu-3-nanofibers
#14
Meiqi Chang, Yanhua Song, Ye Sheng, Jie Chen, Haifeng Zou
TiO2:Eu(3+) nanofibers diameters can be tuned by changing the mixed solvent ratio are synthesized via the electrospinning technique. Concentration quenching phenomena and the relationship of the PL intensity ratio I((5)D0-(7)F2)/I((5)D0-(7)F1) with the Eu doping concentration are discussed. Notably, the luminescence intensity is enhanced by about 7.8 fold by coating SiO2 gel layer on the TiO2:Eu(3+) nanofibers, which is successfully performed via a sol-gel process followed by calcination. Furthermore, these fibers are characterized systematically via X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), UV-vis diffuse reflectance spectroscopy (UV-vis DRS), Fourier transform infrared spectroscopy (FT-IR), and photoluminescence (PL) spectroscopy...
June 23, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28643389/combined-molecular-modelling-and-3d-qsar-study-for-understanding-the-inhibition-of-nqo1-by-heterocyclic-quinone-derivatives
#15
Claudia Lopez-Lira, Jans H Alzate-Morales, Margot Paulino, Jaime Mella-Raipán, Cristian O Salas, Ricardo A Tapia, Jorge Soto-Delgado
A combination of three-dimensional quantitative structure-activity relationship (3D-QSAR), and molecular modelling methods were used to understand the potent inhibitory NAD(P)H:quinone oxidoreductase 1 (NQO1) activity of a set of 52 heterocyclic quinones. Molecular docking results indicated that some favourable interactions of key amino acid residues at the binding site of NQO1 with these quinones, would be responsible for an improvement of the NQO1 activity of these compounds. The main interactions involved are hydrogen bond of the amino group of residue Tyr128, π-stacking interactions with Phe106 and Phe178, and electrostatic interactions with flavin adenine dinucleotide (FADH) cofactor...
June 23, 2017: Chemical Biology & Drug Design
https://www.readbyqxmd.com/read/28643284/hydroxyl-radical-mediated-degradation-of-diclofenac-revisited-a-computational-approach-to-assessment-of-reaction-mechanisms-and-by-products
#16
Sesil Agopcan Cinar, Asu Ziylan-Yavaş, Saron Catak, Nilsun H Ince, Viktorya Aviyente
Advanced oxidation processes (AOPs) are based on the in situ production of hydroxyl radicals (•OH) and reactive oxygen species (ROS) in water upon irradiation of the sample by UV light, ultrasound, electromagnetic radiation, and/or the addition of ozone or a semiconductor. Diclofenac (DCF), one of the emerging organic contaminants (EOC), is of environmental concern due to its abundancy in water and is known to be subjected to AOPs. The current study uses density functional theory (DFT) to elucidate the mechanisms of the reactions between •OH and DCF leading to degradation by-products, P1-P9...
June 23, 2017: Environmental Science and Pollution Research International
https://www.readbyqxmd.com/read/28642732/autonomic-function-impairment-and-brain-perfusion-deficit-in-parkinson-s-disease
#17
Wei-Che Lin, Pei-Chin Chen, Chih-Cheng Huang, Nai-Wen Tsai, Hsiu-Ling Chen, Hung-Chen Wang, Kun-Hsien Chou, Meng-Hsiang Chen, Yi-Wen Chen, Cheng-Hsien Lu
INTRODUCTION: Autonomic disorders have been recognized as important Parkinson's disease (PD) components. Some vulnerable structures are related to the central autonomic network and have also been linked to autonomic function alterations. The aims of the study are to evaluate the severity of the autonomic dysfunction and the cortical hypoperfusion using arterial spin labeling (ASL) MRI. And then, possible relationships of significant between-group differences in perfusion pattern to clinical variables and autonomic functions were examined to determine the pharmaceutical effects of dopaminergic treatment on cerebral blood flow (CBF) in patients with PD...
2017: Frontiers in Neurology
https://www.readbyqxmd.com/read/28642618/physalins-v-ix-16-24-cyclo-13-14-seco-withanolides-from-physalis-angulata-and-their-antiproliferative-and-anti-inflammatory-activities
#18
Cheng-Peng Sun, Chong-Yue Qiu, Feng Zhao, Ning Kang, Li-Xia Chen, Feng Qiu
Five new physalins, including a novel 1,10-seco one, physalin V (1), a tricarboxylic acid cycle one, physalin VIII (5), a rare 11,15-cyclo one, physalin IX (6), and two new ones, physalins VI (2) and VII (4) were isolated from stems and leaves of Physalis angulata together with eleven known analogues (3 and 7-16). Their structures were established by MS, IR, UV, and NMR spectroscopic analysis, together with the X-ray diffraction analysis of neophysalin, physalin P (12), and the structure of physalin D1 (3) has been revised here...
June 22, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28642366/saccharomyces-cerevisiae-red1-protein-exhibits-nonhomologous-dna-end-joining-activity-and-potentiates-hop1-promoted-pairing-of-double-stranded-dna
#19
Rucha Kshirsagar, Indrajeet Ghodke, Kalappa Muniyappa
Elucidation of the function of synaptonemal complex (SC) in <Saccharomyces cerevisiae> has mainly focused on in vivo analysis of recombination-defective meiotic mutants. Consequently, significant gaps remain in the mechanistic understanding of the activities of different SC proteins and the functional relationships among them. S. cerevisiae Hop1 and Red1 are essential structural components of the SC axial/lateral elements. Previous studies have demonstrated that Hop1 is a structure-specific DNA-binding protein that exhibits high affinity for the Holliday junction, promotes DNA bridging, condensation and pairing between duplex DNA molecules...
June 22, 2017: Journal of Biological Chemistry
https://www.readbyqxmd.com/read/28642102/varic-acid-analogues-from-fungus-as-ptp1b-inhibitors-biological-evaluation-and-structure-activity-relationships
#20
Wenlong Sun, Chunlin Zhuang, Xia Li, Bowei Zhang, Xinhua Lu, Zhihui Zheng, Yuesheng Dong
Protein tyrosine phosphatase 1B (PTP1B) inhibitors as potential therapies for diabetes and obesity have attracted much attention in recent years. Six varic acid analogues were isolated from two strains of fungi and evaluated for PTP1B inhibition activities. The structure-activity relationships were also characterized and predicted by molecular modeling. Further kinetic studies indicated the reversible and competitive inhibition manner of varic acid analogues. Trivaric acid showed insulin-sensitizing effect not only in vitro but also in vivo, representing a promising lead compound for further optimization...
June 19, 2017: Bioorganic & Medicinal Chemistry Letters
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