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https://www.readbyqxmd.com/read/29165489/perylenediimide-based-glycoclusters-as-high-affinity-ligands-of-bacterial-lectins-synthesis-binding-studies-and-anti-adhesive-properties
#1
Marion Donnier-Maréchal, Nicolas Galanos, Teddy Grandjean, Yoann Pascal, Ding-Kun Ji, Lei Dong, Emilie Gillon, Xiao-Peng He, Anne Imberty, Eric Kipnis, Rodrigue Dessein, Sébastien Vidal
The synthesis of eight perylenediimide-based glycoclusters was readily performed from hexa- and tetra-propargylated cores through azide-alkyne "click" conjugation. Variations in the carbohydrate epitope (Glc, Gal, Man, Fuc) and the linker arm provided molecular diversity. Interactions with LecA and LecB, two proteins involved in the adhesion of Pseudomonas aeruginosa to host tissues, were evaluated by microcalorimetry (ITC). In both cases high affinities were obtained with Kd values in the nanomolar range. Further evaluation of their anti-adhesive properties using cultured epithelial cells demonstrated their potent anti-adhesive activities against Pseudomonas aeruginosa with only 30-40% residual adhesion observed...
November 22, 2017: Organic & Biomolecular Chemistry
https://www.readbyqxmd.com/read/29160593/xb-or-not-xb-that-is-the-question-the-interaction-modes-of-haloimidazolium-salts-in-solution
#2
Nils Schulz, Pandian Sokkar, Elric Engelage, Severin Schindler, Mate Erdelyi, Elsa Sanchez-Garcia, Stefan Matthias Huber
We performed a comparative study on the interaction mode of 2-haloimidazolium salts with anions in solution, particularly with regard to halogen bonding, hydrogen bonding and anion-π interactions. The syntheses and solid-state analyses of a series of sterically and electronically modified 2-haloimidazolium structures is presented. Detailed isothermal titration calorimetry (ITC) measurements, quantum mechanics/molecular mechanics (QM/MM MD), classical molecular dynamics simulations (MD) and free energy calculations together with NMR were used to elucidate the binding mode in solution...
November 21, 2017: Chemistry: a European Journal
https://www.readbyqxmd.com/read/29157011/reactive-oxygen-species-modulate-itraconazole-induced-apoptosis-via-mitochondrial-disruption-in-candida-albicans
#3
Wonjong Lee, Dong Gun Lee
Itraconazole (ITC), a well-known fungistatic agent, has potent fungicidal activity against Candida albicans. However, its mechanism of fungicidal activity has not been elucidated yet, and we aimed to identify the mechanism of ITC against C. albicans. ITC caused cell shrinkage via potassium leakage though the ion channel. Since shrunken cells could indicate apoptosis, we investigated apoptotic features. Annexin V-FITC and TUNEL assays indicated that fungicidal activity of ITC was involved in apoptosis. Subsequently, we confirmed an intracellular factor that could cause apoptosis...
November 20, 2017: Free Radical Research
https://www.readbyqxmd.com/read/29156084/role-of-charge-and-hydrophobicity-in-liprotide-formation-a-molecular-dynamics-study-with-experimental-constraints
#4
Jannik Nedergaard Pedersen, Pim Wilhelmus Johannes Maria Frederix, Jan Skov Pedersen, Siewert Jan Marrink, Daniel Otzen
Bovine α-lactalbumin (aLA) and oleate (OA) form a complex that has been intensively studied for its tumoricidal activity. Small-angle X-ray scattering (SAXS) has revealed a lipid core surrounded by partially unfolded protein. We call this type of complex a liprotide. Little is known of the molecular interactions between OA and aLA and no technique has so far provided any high resolution structure of liprotides. Here, we used coarse grained (CG) molecular dynamics (MD) simulations, Isothermal titration calorimetry (ITC) and SAXS to investigate the interactions between aLA and OA during the process of liprotide formation...
November 20, 2017: Chembiochem: a European Journal of Chemical Biology
https://www.readbyqxmd.com/read/29151687/medium-term-anatomical-results-of-laser-peripheral-iridoplasty-an-anterior-segment-optical-coherence-tomography-study
#5
Joobin Hooshmand, James Cy Leong, Jeremy O'Connor, Ghee S Ang, Anthony P Wells
Aim: To evaluate by anterior segment optical coherence tomography (AS-OCT) the medium-term (mean duration 3.2 years) anatomical changes in the anterior chamber angle (ACA) after laser peripheral iridoplasty. Materials and methods: This is a longitudinal, retrospective case series of 31 eyes of 31 patients with primary angle-closure suspicion, primary angle closure (PAC), or primary angle-closure glaucoma (PACG) who underwent laser peripheral iridoplasty. All patients had persistent iridotrabecular contact (ITC) despite the presence of a patent peripheral iridotomy (PI)...
September 2017: Journal of Current Glaucoma Practice
https://www.readbyqxmd.com/read/29146135/multivalent-oleanolic-acid-human-serum-albumin-conjugate-as-nonglycosylated-neomucin-for-influenza-virus-capture-and-entry-inhibition
#6
Yang Yang, Hao-Jie He, Hao Chang, Yao Yu, Mei-Bing Yang, Yun He, Zhen-Chuan Fan, Suri S Iyer, Peng Yu
We report the synthesis of multivalent oleanolic acid (OA) protein conjugates as nonglycosylated neomucin mimic for the capture and entry inhibition of influenza viruses. Oleanolic acid derivatives bearing an amine-terminated linker were synthesized by esterification of carboxylic acid and further grafted onto the human serum albumin (HSA) via diethyl squarate method. The binding of hemagglutinin (HA) on the virion surface to the synthetic neomucin was evaluated by hemagglutination inhibition assay. The influenza virus capture ability of the PEGylated OA-HSA conjugate was further investigated by Dynamic Light Scattering (DLS), virus capture assay and Isothermal Titration Calorimeter (ITC) techniques...
October 28, 2017: European Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/29134954/completion-axillary-lymph-node-dissection-can-be-avoid-in-patients-with-invasive-breast-cancer-and-sentinel-lymph-node-micrometastases
#7
Calogero Cipolla, Giuseppa Graceffa, Sergio Calamia, Stefania Latteri, Marco Vito Marino, Mario Latteri, Salvatore Vieni
BACKGROUND: The prognostic value of sentinel lymph node (SLN) micrometastases in invasive breast cancer patients is still widely debated. Even if, in the absence of unequivocal guidelines, the axillary lynphadenectomy is not still performed in the routine clinical care of these patients. MATERIALS AND METHOD: We have retrospectively analyzed 897 patients with operable invasive breast cancer and clinically negative axillary lymph nodes underwent conservative surgery or total mastectomy with SLN biopsy...
November 14, 2017: Annali Italiani di Chirurgia
https://www.readbyqxmd.com/read/29133854/copper-ii-binding-of-nad-p-h-flavin-oxidoreductase-nfor-enhances-its-cr-vi-reducing-ability
#8
Huawen Han, Zhenmin Ling, Tuoyu Zhou, Rong Xu, Yongxing He, Pu Liu, Xiangkai Li
Microbes can reduce hexavalent chromium Cr (VI) to the less toxic and soluble trivalent Cr (III). Copper stimulates microbial reduction of Cr (VI) by the Bacillus, Ochrobactrum, and Gluconobacter species; however, the mechanism remains unclear. In our study, the rate of Cr (VI) reduction by Staphylococcus aureus LZ-01 was increased by 210 % when supplemented with 60 μM Cu (II). A putative NAD(P)H-flavin oxidoreductase gene (nfoR) was upregulated under Cr (VI) stress. NfoR-knockout mutant displayed impaired reduction of Cr (VI) and Cu (II)-enhanced Cr (VI) reduction by nfoR isogenic mutant was attenuated in the presence of Cu (II)...
November 13, 2017: Scientific Reports
https://www.readbyqxmd.com/read/29128829/identification-of-the-binding-between-three-fluoronucleoside-analogues-and-fat-mass-and-obesity-associated-protein-by-isothermal-titration-calorimetry-and-spectroscopic-techniques
#9
Zhigang Li, Zechun Wang, Ning Wang, Xinxin Han, Wenquan Yu, Ruiyong Wang, Junbiao Chang
In this work, the interactions between fat mass and obesity-associated (FTO) protein and three fluoronucleoside analogues (three-member-ring compound (1a), five-member-ring compound (1b) and six-member-ring compound (1c)) have been investigated by fluorescence, ultraviolet-visible absorption spectroscopy, isothermal titration calorimetric (ITC) and molecular modeling. Analysis of fluorescence data showed that the binding between three analogues and FTO occurred via a static quenching mechanism. Both ITC and fluorescence results indicated that 1b is the strongest quencher...
November 8, 2017: Journal of Pharmaceutical and Biomedical Analysis
https://www.readbyqxmd.com/read/29128664/intravenous-anti-mrsa-phosphatiosomes-mediate-enhanced-affinity-to-pulmonary-surfactants-for-effective-treatment-of-infectious-pneumonia
#10
Ching-Yun Hsu, Calvin T Sung, Ibrahim A Aljuffali, Chun-Han Chen, Kai-Yin Hu, Jia-You Fang
The aim of this study was to develop PEGylated phosphatidylcholine (PC)-rich nanovesicles (phosphatiosomes) carrying ciprofloxacin (CIPX) for lung targeting to eradicate extracellular and intracellular methicillin-resistant Staphylococcus aureus (MRSA). Soyaethyl morphonium ethosulfate (SME) was intercalated in the nanovesicle surface with the dual goals of achieving strengthened bactericidal activity of CIPX-loaded phosphatiosomes and delivery to the lungs. The isothermal titration calorimetry (ITC) results proved the strong association of SME phosphatiosomes with pulmonary surfactant...
November 8, 2017: Nanomedicine: Nanotechnology, Biology, and Medicine
https://www.readbyqxmd.com/read/29127050/do-antibacterial-and-antifungal-combinations-have-better-activity-against-clinically-relevant-fusarium-species-in-vitro-synergism
#11
Tarcieli Pozzebon Venturini, Abdullah M S Al-Hatmi, Luana Rossato, Maria Isabel Azevedo, Jéssica Tairine Keller, Carla Weiblen, Janio Morais Santurio, Sydney Hartz Alves
The objective of this study was to evaluate the susceptibility of 20 clinical isolates of Fusarium spp. against classic antifungals (amphotericin B [AMB], itraconazole [ITC], voriconazole [VRC] and caspofungin [CAS]) and to nonantifungal agents (amiodarone [AMD], doxycycline [DOX] and moxifloxacin [MXF]) using broth microdilution method. The combinations between these antifungal plus nonantifungal agents were also evaluated for the determination of FICI (fractional inhibitory concentration index) using the checkerboard technique...
November 7, 2017: International Journal of Antimicrobial Agents
https://www.readbyqxmd.com/read/29127014/structural-insights-and-binding-of-a-natural-ligand-succinic-acid-with-serine-and-cysteine-proteases
#12
R Manohar, N H V Kutumbarao, Raghavendra Sashi Krishna Nagampalli, D Velmurugan, K Gunasekaran
In the age of growing infectious diseases, there is a great demand for new inhibitors which can exhibit minimum side effects. Owing to the importance of proteases in life cycle and invasion, they have been projected as attractive targets for structure based drug designing against microbes including viruses. Here we report the inhibitory activity of a well known natural compound succinic acid against both serine and cysteine proteases. The ligand is found co-crystallized with Bovine pancreatic trypsin in one of our crystallization trials and the diffraction data up to1...
November 7, 2017: Biochemical and Biophysical Research Communications
https://www.readbyqxmd.com/read/29123383/internal-consistency-and-item-total-correlation-of-patient-reported-outcome-instruments-and-hemophilia-joint-health-score-v2-1-in-us-adult-people-with-hemophilia-results-from-the-pain-functional-impairment-and-quality-of-life-p-fiq-study
#13
Michael Wang, Katharine Batt, Craig Kessler, Anne Neff, Neeraj N Iyer, David L Cooper, Christine L Kempton
Background: The Pain, Functional Impairment, and Quality of Life study was an observational, cross-sectional assessment of the impact of pain on functional impairment and quality of life in adult people with hemophilia (PWH) of any severity in the USA who experience joint pain and/or bleeding. Objective: To assess internal consistency (IC) and item-total correlation (ITC) of assessment tools used in the Pain, Functional Impairment, and Quality of Life study. Methods: Participants completed 5 patient-reported outcome instruments (EQ-5D-5L with visual analog scale, Brief Pain Inventory v2 Short Form [BPI], International Physical Activity Questionnaire [IPAQ], Short Form 36 Health Survey v2 [SF-36v2], and Hemophilia Activities List [HAL]) and underwent an optional physiotherapist-administered musculoskeletal exam (Hemophilia Joint Health Score v2...
2017: Patient Preference and Adherence
https://www.readbyqxmd.com/read/29121574/in-vitro-interaction-of-cefotaxime-with-calf-thymus-dna-insights-from-spectroscopic-calorimetric-and-molecular-modelling-studies
#14
Faizan Abul Qais, Iqbal Ahmad
Cefotaxime is third generation antibiotic with known therapeutic efficacy against bacterial infections including cerebral abscesses and bacterial meningitis. The β-lactam group of drugs are considered safest antibiotics. Many antibiotics directly interact with DNA and alter their expression profile. Thus, it is necessary to understand the binding mode and its relevance to drug activity and toxicity. There is considerably a remarkable focus on deciphering the binding mechanism of these therapeutic agents as DNA is one of the major target for wide range of drugs...
October 28, 2017: Journal of Pharmaceutical and Biomedical Analysis
https://www.readbyqxmd.com/read/29117180/the-additional-benefit-of-residual-spraying-and-insecticide-treated-curtains-for-dengue-control-over-current-best-practice-in-cuba-evaluation-of-disease-incidence-in-a-cluster-randomized-trial-in-a-low-burden-setting-with-intensive-routine-control
#15
Maria Eugenia Toledo, Veerle Vanlerberghe, Julio Popa Rosales, Mayelin Mirabal, Pedro Cabrera, Viviana Fonseca, Tania Gómez Padrón, Mirtha Pérez Menzies, Domingo Montada, Patrick Van der Stuyft
BACKGROUND: Aedes control interventions are considered the cornerstone of dengue control programmes, but there is scarce evidence on their effect on disease. We set-up a cluster randomized controlled trial in Santiago de Cuba to evaluate the entomological and epidemiological effectiveness of periodical intra- and peri-domiciliary residual insecticide (deltamethrin) treatment (RIT) and long lasting insecticide treated curtains (ITC). METHODOLOGY/PRINCIPAL FINDINGS: Sixty three clusters (around 250 households each) were randomly allocated to two intervention (RIT and ITC) and one control arm...
November 2017: PLoS Neglected Tropical Diseases
https://www.readbyqxmd.com/read/29117115/glucosinolate-derived-isothiocyanates-inhibit-arabidopsis-growth-and-the-potency-depends-on-their-side-chain-structure
#16
János Urbancsok, Atle M Bones, Ralph Kissen
Isothiocyanates (ITCs), the biologically important glucosinolate breakdown products, can present health-promoting effects, play an important role in plant defense and affect plant cellular mechanisms. Here, we evaluated the biological effects of ITCs on Arabidopsis thaliana by assessing growth parameters after long-term exposure to low concentrations of aliphatic and aromatic ITCs, ranging from 1 to 1000 µM. Treatment with the aliphatic allylisothiocyanate (allyl-ITC) led to a significant reduction of root length and fresh weight in a dose-dependent manner and affected the formation of lateral roots...
November 8, 2017: International Journal of Molecular Sciences
https://www.readbyqxmd.com/read/29115711/linear-precision-glycomacromolecules-with-varying-interligand-spacing-and-linker-functionalities-binding-to-concanavalin-a-and-the-bacterial-lectin-fimh
#17
Sinaida Igde, Susanna Röblitz, Anne Müller, Katharina Kolbe, Sophia Boden, Claudia Fessele, Thisbe K Lindhorst, Marcus Weber, Laura Hartmann
A series of precision glycomacromolecules is prepared following previously established solid phase synthesis allowing for controlled variations of interligand spacing and the overall number of carbohydrate ligands. In addition, now also different linkers are installed between the carbohydrate ligand and the macromolecular scaffold. The lectin binding behavior of these glycomacromolecules is then evaluated in isothermal titration calorimetry (ITC) and kinITC experiments using the lectin Concanavalin A (Con A) in its dimeric and tetrameric form...
November 8, 2017: Macromolecular Bioscience
https://www.readbyqxmd.com/read/29114686/modulation-of-xpc-peptide-on-binding-tb-3-to-euplotes-octocarinatus-centrin
#18
Enxian Shi, Wenlong Zhang, Yaqin Zhao, Binsheng Yang
Centrins are Ca(2+)-binding proteins found throughout eukaryotic organisms. Xeroderma pigmentosum group C protein (XPC), a dominant component of the nuclear excision repair (NER) pathway, is a critical target protein of centrins. A 22-residue peptide (K842-R863) from XPC was used to investigate the effect of metal ions (Ca(2+) and Tb(3+)) on the peptide binding of Euplotes octocarinatus centrin (EoCen) by isothermal titration calorimetry (ITC) and fluorescence spectroscopy. ITC and tryptophan spectrofluorimetric titrations revealed that metal ions (Ca(2+) and Tb(3+)) could enhance the affinity between EoCen and the XPC peptide, and the enhanced effects were closely related to the ion potential of metal ions...
November 8, 2017: Metallomics: Integrated Biometal Science
https://www.readbyqxmd.com/read/29114572/an-insight-to-the-binding-of-ellagic-acid-with-human-serum-albumin-using-spectroscopic-and-isothermal-calorimetry-studies
#19
Rudradip Pattanayak, Pijush Basak, Srikanta Sen, Maitree Bhattacharyya
Ellagic acid (EA), a natural polyphenol evidence several pharmacological benefits. The binding profile of EA with human serum albumin (HSA) has been explored and investigated by Isothermal titration calorimetry (ITC), circular dichroism (CD) spectroscopy, time-correlated single-photon counting (TCSPC), absorbance spectroscopy, steady-state fluorescence spectroscopy, and modelling studies. The ITC data analysis revealed the binding Constant (Ka), ΔH, ΔS and ΔG values to be 15.5×10(4)M(-1), -116.2±18.1 Kcal mol(-1), -366 cal mol(-1)K(-1) and -7...
July 2017: Biochemistry and Biophysics Reports
https://www.readbyqxmd.com/read/29111351/chemoprevention-with-isothiocyanates-from-bench-to-bedside
#20
Carsten Gründemann, Roman Huber
Isothiocyanates (ITCs) are naturally occurring hydrolization products from glucosinolates (GLSs) in brassicaceae and in epidemiological studies their intake has been weakly to moderately inversely correlated with the risk of colorectal cancer, prostate cancer and lung cancer. Numerous preclinical studies demonstrate chemopreventive mode of actions of ITCs, mainly related to a.) detoxification (induction of phase II enzymes), b.) anti-inflammatory properties by down-regulation of NFkappaB activity, c.) cyclin-mediated cell cycle arrest and d...
October 27, 2017: Cancer Letters
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