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https://www.readbyqxmd.com/read/28723759/determining-the-relationship-of-kinesiophobia-with-respiratory-functions-and-functional-capacity-in-ankylosing-spondylitis
#1
Göktuğ Er, Ender AngIn
Ankylosing spondylitis (AS) is a common inflammatory rheumatic disease that affects the axial skeleton, causes inflammatory lower back pain, and structural and functional disorders, which affect quality of life negatively.The purpose of this study is to investigate the effects of kinesiophobia in AS on pulmonary function tests (PFTs) and functional performance.Thirty-one individuals with AS (n = 19 male, n = 12 female) who were suitable on the basis of the Modified New York (MNY) criteria were included in the study...
July 2017: Medicine (Baltimore)
https://www.readbyqxmd.com/read/28723094/structure-activity-relationships-reveal-key-features-of-8-oxoguanine-adenine-mismatch-detection-by-the-muty-dna-glycosylase
#2
Amelia H Manlove, Paige L McKibbin, Emily L Doyle, Chandrima Majumdar, Michelle L Hamm, Sheila S David
Base excision repair glycosylases locate and remove damaged based in DNA with remarkable specificity. The MutY glycosylases, unusual for their excision of undamaged adenines mispaired to the oxidized base 8-oxoguanine (OG), must recognize both bases of the mispair in order to prevent promutagenic activity. Moreover, MutY must effectively find OG:A mismatches within the context of highly abundant and structurally similar T:A base-pairs. Very little is known about the factors that initiate MutY's interaction with the substrate when it first encounters an intrahelical OG:A mispair, or about the order of recognition checkpoints...
July 19, 2017: ACS Chemical Biology
https://www.readbyqxmd.com/read/28722475/ann-qsar-workflow-for-predicting-the-inhibition-of-hiv-1-reverse-transcriptase-by-pyridinone-non-nucleoside-derivatives
#3
Abolfazl Barzegar, Elham Zamani-Gharehchamani, Ali Kadkhodaie-Ilkhchi
AIM: Pyridinone derivatives have high potency against non-nucleoside reverse transcriptase inhibitor (NNRTI)-resistant human immunodeficiency virus type-1 strains. Quantitative structure-activity relationship (QSAR) studies on a series of pyridinone derivatives acting as NNRTIs are very important in designing the next generation of NNRTIs. Methodology & results: The QSAR models were developed using linear (single and forward stepwise) and combined nonlinear artificial neural network (ANN) approaches...
July 19, 2017: Future Medicinal Chemistry
https://www.readbyqxmd.com/read/28722281/collagen-organization-regulates-stretch-initiated-pain-related-neuronal-signals-in-vitro-implications-for-structure-function-relationships-in-innervated-ligaments
#4
Sijia Zhang, Sagar Singh, Beth A Winkelstein
Injury to the spinal facet capsule, an innervated ligament with heterogeneous collagen organization, produces pain. Although mechanical facet joint trauma activates embedded afferents, it is unclear if, and how, the varied extracellular microstructure of its ligament affects sensory transduction for pain from mechanical inputs. To investigate the effects of macroscopic deformations on afferents in collagen matrices with different organizations, an in vitro neuron-collagen construct (NCC) model was used. NCCs with either randomly organized or parallel aligned collagen fibers were used to mimic the varied microstructure in the facet capsular ligament...
July 19, 2017: Journal of Orthopaedic Research: Official Publication of the Orthopaedic Research Society
https://www.readbyqxmd.com/read/28721040/effect-of-ultraviolet-treatment-on-bacterial-attachment-and-osteogenic-activity-to-alkali-treated-titanium-with-nanonetwork-structures
#5
Honghao Zhang, Satoshi Komasa, Chiho Mashimo, Tohru Sekino, Joji Okazaki
PURPOSE: Alkali-treated titanium with nanonetwork structures (TNS) possesses good osteogenic activity; however, the resistance of this material to bacterial contamination remains inadequate. As such, TNS implants are prone to postoperative infection. In this work, we attempted to alter the biological properties of TNS by treatment with short-duration high-intensity ultraviolet (UV) irradiation. METHODS: TNS discs were treated with UV light (wavelength =254 nm, strength =100 mW/cm(2)) for 15 minutes using a UV-irradiation machine...
2017: International Journal of Nanomedicine
https://www.readbyqxmd.com/read/28720784/snap-tagged-chikungunya-virus-replicons-improve-visualisation-of-non-structural-protein-3-by-fluorescence-microscopy
#6
Roland Remenyi, Grace C Roberts, Carsten Zothner, Andres Merits, Mark Harris
Chikungunya virus (CHIKV), a mosquito-borne alphavirus, causes febrile disease, muscle and joint pain, which can become chronic in some individuals. The non-structural protein 3 (nsP3) plays essential roles during infection, but a complete understanding of its function is lacking. Here we used a microscopy-based approach to image CHIKV nsP3 inside human cells. The SNAP system consists of a self-labelling enzyme tag, which catalyses the covalent linking of exogenously supplemented synthetic ligands. Genetic insertion of this tag resulted in viable replicons and specific labelling while preserving the effect of nsP3 on stress granule responses and co-localisation with GTPase Activating Protein (SH3 domain) Binding Proteins (G3BPs)...
July 18, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28720122/enhance-the-performance-of-current-scoring-functions-with-the-aid-of-3d-protein-ligand-interaction-fingerprints
#7
Jie Liu, Minyi Su, Zhihai Liu, Jie Li, Yan Li, Renxiao Wang
BACKGROUND: In structure-based drug design, binding affinity prediction remains as a challenging goal for current scoring functions. Development of target-biased scoring functions provides a new possibility for tackling this problem, but this approach is also associated with certain technical difficulties. We previously reported the Knowledge-Guided Scoring (KGS) method as an alternative approach (BMC Bioinformatics, 2010, 11, 193-208). The key idea is to compute the binding affinity of a given protein-ligand complex based on the known binding data of an appropriate reference complex, so the error in binding affinity prediction can be reduced effectively...
July 18, 2017: BMC Bioinformatics
https://www.readbyqxmd.com/read/28720070/for-r2-submission-to-environmental-technology-as-a-original-research-paper-anammox-biomass-carrying-efficiency-of-polyethylene-non-woven-sheets-as-a-carrier-material
#8
Sunja Cho, Min Ki Jung, Dong Jin Ju, Young-Hee Lee, Kuk Cho, Satoshi Okabe
To access the effects of the surface modification and fabric structure of polyethylene (PE) non-woven fabric sheets on retaining the attachment efficiency of anammox biomass, three different kinds of non-woven sheets were prepared and inserted in an anammox reactor. The hydrophobic surface modification with 10% KMnO4 and gelatin did not improve the attachment efficiency of the anammox biomass on the surface of the PE non-woven fibers. Densely-packed PE-755 having the highest specific surface area to volume ratio (SA/V) (755) retained 221...
July 18, 2017: Environmental Technology
https://www.readbyqxmd.com/read/28719801/biology-oriented-drug-synthesis-biods-of-2-2-methyl-5-nitro-1h-imidazol-1-yl-ethyl-aryl-ether-derivatives-in-vitro-%C3%AE-amylase-inhibitory-activity-and-in-silico-studies
#9
Muhammad Taha, Syahrul Imran, Nor Hadiani Ismail, Manikandan Selvaraj, Fazal Rahim, Sridevi Chigurupati, Hayat Ullah, Fahad Khan, Uzma Salar, Muhammad Tariq Javid, Shantini Vijayabalan, Khalid Zaman, Khalid Mohammed Khan
A new library of 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl aryl ether derivatives (1-23) were synthesized and characterized by EI-MS and (1)H NMR, and screened for their α-amylase inhibitory activity. Out of twenty-three derivatives, two molecules 19 (IC50=0.38±0.82µM) and 23 (IC50=1.66±0.14µM), showed excellent activity whereas the remaining compounds, except 10 and 17, showed good to moderate inhibition in the range of IC50=1.77-2.98µM when compared with the standard acarbose (IC50=1.66±0.1µM). A plausible structure-activity relationship has also been presented...
July 11, 2017: Bioorganic Chemistry
https://www.readbyqxmd.com/read/28719743/machine-learning-on-samdi-mass-spectrometry-signal-to-noise-ratio-improves-peptide-array-designs
#10
Albert Yan Xue, Lindsey C Szymczak, Milan Mrksich, Neda Bagheri
Emerging peptide array technologies are able to profile molecular activities within cell lysates. However, the structural diversity of peptides leads to inherent differences in peptide signal to noise ratios (S/N). These complex effects can lead to potentially unrepresentative signal intensities and can bias subsequent analyses. Within mass spectrometry-based peptide technologies, the relation between a peptide's amino acid sequence and S/N remains largely non-quantitative. To address this challenge, we present a method to quantify and analyze mass spectrometry S/N of two peptide arrays, and we use this analysis to portray quality of data and to design future arrays for SAMDI mass spectrometry...
July 18, 2017: Analytical Chemistry
https://www.readbyqxmd.com/read/28719634/taxa-area-relationship-of-aquatic-fungi-on-deciduous-leaves
#11
Sofia Duarte, Fernanda Cássio, Cláudia Pascoal, Felix Bärlocher
One of the fundamental patterns in macroecology is the increase in the number of observed taxa with size of sampled area. For microbes, the shape of this relationship remains less clear. The current study assessed the diversity of aquatic fungi, by the traditional approach based on conidial morphology (captures reproducing aquatic hyphomycetes) and next generation sequencing (NGS; captures other fungi as well), on graded sizes of alder leaves (0.6 to 13.6 cm2). Leaves were submerged in two streams in geographically distant locations: the Oliveira Stream in Portugal and the Boss Brook in Canada...
2017: PloS One
https://www.readbyqxmd.com/read/28719509/the-relationship-between-structural-and-functional-brain-changes-and-altered-emotion-and-cognition-in-chronic-low-back-pain-a-systematic-review-of-mri-and-fmri-studies
#12
Sin Ki Ng, Donna M Urquhart, Paul B Fitzgerald, Flavia M Cicuttini, Sultana Monira Hussain, Bernadette M Fitzgibbon
OBJECTIVES: Chronic low back pain (CLBP) is a major health issue, yet its underlying mechanisms remain unknown. Studies have demonstrated the importance of emotion and cognition in chronic pain, however, the relevant brain physiology in magnetic resonance imaging (MRI) studies are unclear in CLBP populations. Therefore, this review aimed to identify MRI brain changes and examine their potential relationship with emotional and cognitive processes in CLBP. METHOD: A systematic search was conducted in 5 databases...
July 17, 2017: Clinical Journal of Pain
https://www.readbyqxmd.com/read/28718982/design-and-solution-phase-synthesis-of-membrane-targeting-lipopeptides-with-selective-antibacterial-activity
#13
Mohini Mohan Konai, Utsarga Adhikary, Jayanta Haldar
Designing selective antibacterial molecules remains an unmet goal in the field of membrane targeting agents. To this aim, herein we report the rational design and synthesis of a new class of lipopeptides which possess highly selective bacterial killing over mammalian cells. The selective interaction with bacterial over mammalian membranes was established through various spectroscopic as well as microscopic experiments including biophysical studies with the model membranes. A detailed antibacterial structure-activity relationship was delineated after preparing a series of molecules consisting of the peptide moieties with varied sequence of amino acids such as D-phenylalanine, D-leucine and D-lysine...
July 18, 2017: Chemistry: a European Journal
https://www.readbyqxmd.com/read/28718923/using-homology-modeling-to-interrogate-binding-affinity-in-neutralization-of-ricin-toxin-by-a-family-of-single-domain-antibodies
#14
Andrea Bazzoli, David J Vance, Michael J Rudolph, Yinghui Rong, Siva Krishna Angalakurthi, Ronald T Toth, C Russell Middaugh, David B Volkin, David D Weis, John Karanicolas, Nicholas J Mantis
In this report we investigated, within a group of closely related single domain camelid antibodies (VH Hs), the relationship between binding affinity and neutralizing activity as it pertains to ricin, a fast-acting toxin and biothreat agent. The V1C7-like VH Hs (V1C7, V2B9, V2E8, and V5C1) are similar in amino acid sequence, but differ in their binding affinities and toxin-neutralizing activities. Using the X-ray crystal structure of V1C7 in complex with ricin's enzymatic subunit (RTA) as a template, Rosetta-based homology modeling coupled with energetic decomposition led us to predict that a single pairwise interaction between Arg29 on V5C1 and Glu67 on RTA was responsible for the difference in ricin toxin binding affinity between V1C7, a weak neutralizer, and V5C1, a moderate neutralizer...
July 18, 2017: Proteins
https://www.readbyqxmd.com/read/28718836/the-biological-activities-of-sesterterpenoid-type-ophiobolins
#15
REVIEW
Wei Tian, Zixin Deng, Kui Hong
Ophiobolins (Ophs) are a group of tricarbocyclic sesterterpenoids whose structures contain a tricyclic 5-8-5 carbotricyclic skeleton. Thus far, 49 natural Ophs have been reported and assigned into A-W subgroups in order of discovery. While these sesterterpenoids were first characterized as highly effective phytotoxins, later investigations demonstrated that they display a broad spectrum of biological and pharmacological characteristics such as phytotoxic, antimicrobial, nematocidal, cytotoxic, anti-influenza and inflammation-promoting activities...
July 18, 2017: Marine Drugs
https://www.readbyqxmd.com/read/28718646/exploring-the-relationship-between-nicotinic-acetylcholine-receptor-ligand-size-efficiency-efficacy-and-c-loop-opening
#16
Qianyun Ma, Han-Shen Tae, Guanzhao Wu, Tao Jiang, Rilei Yu
Nicotinic acetylcholine receptors (nAChRs) are ligand-gated ion channels mediating fundamental physiological activities in the nervous system, and have become important targets for drug design. For a long time, the acetylcholine binding protein (AChBP) has been used as surrogate to study the nAChR structure-function. Taking advantage of more than 100 AChBP crystal structures in the Protein DataBank (PDB), we explored the relationship between the size, efficiency and efficacy of nAChR ligands and the C-loop movement...
July 18, 2017: Journal of Chemical Information and Modeling
https://www.readbyqxmd.com/read/28718638/semisynthesis-and-kappa-opioid-receptor-activity-of-derivatives-of-columbin-a-furanolactone-diterpene
#17
Anil Yilmaz, Rachel Saylor Crowley, Alexander M Sherwood, Thomas E Prisinzano
Columbin (1) is a furanolactone diterpene isolated from the roots of Jateorhiza and Tinospora species. These species generally grow in Asia and Africa and have been used in folk medicine for their apparent analgesic and antipyretic activities. Columbin (1) is of particular interest due to its structural similarity to the known kappa-opioid receptor (KOR) agonist salvinorin A. Given that the KOR is of interest in the study of many serious diseases, such as anxiety, depression, and drug addiction, obtaining natural or semisynthetic molecules with KOR activity recently has gained much interest...
July 18, 2017: Journal of Natural Products
https://www.readbyqxmd.com/read/28718065/structure-function-relationships-of-protein-lipopeptide-complexes-and-influence-on-immunogenicity
#18
Acep R Wijayadikusumah, Lucy C Sullivan, David C Jackson, Brendon Y Chua
The lipopeptide, R4Pam2Cys, associates electrostatically with soluble protein antigens and significantly enhances their ability to induce protective humoral and cell-mediated responses. We demonstrate that antibody titers elicited by the antigen ovalbumin (OVA) associated with R4Pam2Cys are higher than those elicited by OVA in the presence of alum and comparable to those elicited by OVA formulated with complete Freund's adjuvant (CFA). The hierarchy of anti-OVA antibody avidities was CFA > R4Pam2Cys = alum...
July 17, 2017: Amino Acids
https://www.readbyqxmd.com/read/28717146/concise-and-stereodivergent-synthesis-of-carbasugars-reveals-unexpected-structure-activity-relationship-sar-of-sglt2-inhibition
#19
Wai-Lung Ng, Ho-Chuen Li, Kit-Man Lau, Anthony K N Chan, Clara Bik-San Lau, Tony K M Shing
Carbasugar sodium-glucose cotransporter 2 (SGLT2) inhibitors are highly promising drug candidates for the treatment of Type 2 diabetes mellitus (T2DM). However, the clinical usage of carbasugar SGLT2 inhibitors has been underexplored, due to the lengthy synthetic routes and the lack of structure-activity relationship (SAR) studies of these compounds. Herein, we report a concise and stereodivergent synthetic route towards some novel carbasugar SGLT2 inhibitors, featuring an underexploited, regioselective, and stereospecific palladium-catalyzed allyl-aryl coupling reaction...
July 17, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28716800/relationship-between-vascular-resistance-and-sympathetic-nerve-fiber-density-in-arterial-vessels-in-children-with-sleep-disordered-breathing
#20
Anna Kontos, Kurt Lushington, James Martin, Quenten Schwarz, Ryan Green, David Wabnitz, Xiangjun Xu, Elke M Sokoya, Scott Willoughby, Mathias Baumert, Antonio Ferrante, Melissa La Forgia, Declan Kennedy
BACKGROUND: Sleep disordered breathing in children is associated with increased blood flow velocity and sympathetic overactivity. Sympathetic overactivity results in peripheral vasoconstriction and reduced systemic vascular compliance, which increases blood flow velocity during systole. Augmented blood flow velocity is recognized to promote vascular remodeling. Importantly, increased vascular sympathetic nerve fiber density and innervation in early life plays a key role in the development of early-onset hypertension in animal models...
July 17, 2017: Journal of the American Heart Association
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