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61.
Brain‐Penetrant Triazolopyrimidine and Phenylpyrimidine Microtubule Stabilizers as Potential Leads to Treat Human African Trypanosomiasis 下载免费PDF全文
Dr. Ludovica Monti Steven C Wang Dr. Killian Oukoloff Dr. Amos B. Smith III Dr. Kurt R. Brunden Dr. Conor R. Caffrey Dr. Carlo Ballatore 《ChemMedChem》2018,13(17):1751-1754
In vitro whole‐organism screens of Trypanosoma brucei with representative examples of brain‐penetrant microtubule (MT)‐stabilizing agents identified lethal triazolopyrimidines and phenylpyrimidines with sub‐micromolar potency. In mammalian cells, these antiproliferative compounds disrupt MT integrity and decrease total tubulin levels. Their parasiticidal potency, combined with their generally favorable pharmacokinetic properties, which include oral bioavailability and brain penetration, suggest that these compounds are potential leads against human African trypanosomiasis. 相似文献
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Correlation between IR peak position and bond parameter of silica glass: Molecular dynamics study on fictive temperature (cooling rate) effect 下载免费PDF全文
Jiawei Luo Yuxing Zhou Carlo G. Pantano Seong H. Kim 《Journal of the American Ceramic Society》2018,101(12):5419-5427
The fictive temperature of glass is a consequence of its thermal history (cooling rate, primarily) and has a direct effect on physical and chemical properties of the glass. But, it is not easy to measure. The ability to nondestructively and spectroscopically measure it at room temperature would be of great benefit. Although empirical correlations have been established between fictive temperature and selected absorption peaks in the infrared spectra of silica glass, the fundamental understanding for this correlation has not been reported. Here, we use molecular dynamics simulations to show that the blue shift in the Si–O–Si asymmetric stretching peak of pure silica glass, which is known to correlate with a decrease in fictive temperature, can be attributed to a decrease in the average length of the Si–O bond in the silica network, not changes in the density or the Si–O–Si bond angle. The decrease in density at higher fictive temperatures of silica is associated with a decreased population of 5‐ and 6‐membered rings and broadening of the ring‐size distribution, and an increase in the average Si–O–Si bond angle. 相似文献
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65.
Membrane trafficking is all about time. Automation in such a biological process is crucial to ensure management and delivery of cellular cargoes with spatiotemporal precision. Shared molecular regulators and differential engagement of trafficking components improve robustness of molecular sorting. Sequential recruitment of low affinity protein complexes ensures directionality of the process and, concomitantly, serves as a kinetic proofreading mechanism to discriminate cargoes from the whole endocytosed material. This strategy helps cells to minimize losses and operating errors in membrane trafficking, thereby matching the appealed deadline. Here, we summarize the molecular pathways of molecular sorting, focusing on their timing and efficacy. We also highlight experimental procedures and genetic approaches to robustly probe these pathways, in order to guide mechanistic studies at the interface between biochemistry and quantitative biology. 相似文献
66.
Target Hopping as a Useful Tool for the Identification of Novel EphA2 Protein–Protein Antagonists 下载免费PDF全文
Dr. Daniele Pala Dr. Simonetta Russo Dr. Riccardo Castelli Dr. Iftiin Hassan‐Mohamed Dr. Carmine Giorgio Dr. Alessio Lodola 《ChemMedChem》2014,9(1):67-72
Lithocholic acid (LCA), a physiological ligand for the nuclear receptor FXR and the G‐protein‐coupled receptor TGR5, has been recently described as an antagonist of the EphA2 receptor, a key member of the ephrin signalling system involved in tumour growth. Given the ability of LCA to recognize FXR, TGR5, and EphA2 receptors, we hypothesized that the structural requirements for a small molecule to bind each of these receptors might be similar. We therefore selected a set of commercially available FXR or TGR5 ligands and tested them for their ability to inhibit EphA2 by targeting the EphA2‐ephrin‐A1 interface. Among the selected compounds, the stilbene carboxylic acid GW4064 was identified as an effective antagonist of EphA2, being able to block EphA2 activation in prostate carcinoma cells, in the micromolar range. This finding proposes the “target hopping” approach as a new effective strategy to discover new protein–protein interaction inhibitors. 相似文献
67.
Roberta D’Ambrosio Alessio Aghemo Raffaele De Francesco Maria Grazia Rumi Enrico Galmozzi Stella De Nicola Cristina Cheroni Paul J. Clark Guido Ronchi Pietro Lampertico Massimo Colombo 《International journal of molecular sciences》2014,15(5):7213-7224
The interleukin 28B (IL28B) rs12979860 polymorphism is associated with treatment outcome in hepatitis C virus (HCV) genotype 1 and 4 patients. Its association with the histological features of chronic hepatitis C and disease severity needs further clarifications. To assess the correlation between IL28B genotype, HCV genotype and liver biopsy findings in untreated patients.
Materials and Methods
Pre-treatment liver biopsies from 335 HCV Caucasian patients (59% males, age 50 years) enrolled in the MIST study were staged for fibrosis and inflammation according to the METAVIR and the Ishak scoring systems; steatosis was dichotomized as <5% or ≥5%. IL28B was typed by Taqman Single Nucleotide Polymorphism (SNP) genotyping assay. HCV genotype was 1 in 151 (45%), 2 in 99 (30%), 3 in 50 (15%) and 4 in 35 (10%) patients. IL28B genotype was CC in 117 (34%), CT in 166 (49%) and TT in 52 (15%). At univariate analysis, the IL28B CC genotype was associated with severe portal inflammation in HCV-1 patients (CC vs. CT/TT: 86% vs. 63%, p = 0.005), severe lobular inflammation in HCV-2 patients (CC vs. CT/TT: 44% vs. 23%, p = 0.03), and less fatty infiltration in HCV-1 patients (CC vs. CT/TT: 72% vs. 51%, p = 0.02). Despite the lack of any association between IL28B and fibrosis stage, in HCV-3 patients IL28B CC correlated with METAVIR F3–F4 (CC vs. CT/TT: 74% vs. 26%, p = 0.05). At multivariate analysis, the genotype CC remained associated with severe portal inflammation in HCV-1, only (Odds Ratio (OR): 95% Confidence Interval (CI): 3.24 (1.23–8.51)). IL28B genotype is associated with the histological features of chronic hepatitis C in a HCV genotype dependent manner, with CC genotype being independently associated with severe portal inflammation. 相似文献68.
Potent,Metabolically Stable 2‐Alkyl‐8‐(2H‐1,2,3‐triazol‐2‐yl)‐9H‐adenines as Adenosine A2A Receptor Ligands 下载免费PDF全文
Dr. Silvia Pace Dr. Giandomenico Brogin Dr. Maria Antonietta Stasi Dr. Teresa Riccioni Franco Borsini Dr. Francesca Capocasa Dr. Francesco Manera Carlo Tallarico Dr. Pietro Grossi Dr. Federica Vacondio Dr. Michele Bassi Dr. Francesca Bartoccini Dr. Simone Lucarini Dr. Giovanni Piersanti Prof. Giorgio Tarzia Walter Cabri Dr. Patrizia Minetti 《ChemMedChem》2015,10(7):1149-1152
Inhibition of adenosine A2A receptors has been shown to elicit a therapeutic response in preclinical animal models of Parkinson’s disease (PD). We previously identified the triazolo‐9H‐purine, ST1535, as a potent A2AR antagonist. Studies revealed that ST1535 is extensively hydroxylated at the ω‐1 position of the butyl side chain. Here, we describe the synthesis and evaluation of derivatives in which the ω‐1 position has been substituted (F, Me, OH) in order to block metabolism. The stability of the compounds was evaluated in human liver microsomes (HLM), and the affinity for A2AR was determined. Two compounds, (2‐(3,3‐dimethylbutyl)‐9‐methyl‐8‐(2H‐1,2,3‐triazol‐2‐yl)‐9H‐purin‐6‐amine ( 3 b ) and 4‐(6‐amino‐9‐methyl‐8‐(2H‐1,2,3‐triazol‐2‐yl)‐9H‐purin‐2‐yl)‐2‐methylbutan‐2‐ol ( 3 c ), exhibited good affinity against A2AR (Ki=0.4 nM and 2 nM , respectively) and high in vitro metabolic stability (89.5 % and 95.3 % recovery, respectively, after incubation with HLM for two hours). 相似文献
69.
The purpose of this work was to evaluate the effect of consolidation parameters on the mechanical properties of all‐polypropylene composites. Consolidation time does not induce any significant influence, whereas processing temperature and in particular coextruded tape characteristics deeply affect laminate performance. The DSC analysis demonstrated that the proximity of copolymer and homopolymer melting points results in a reduction in the operating window. This suggests the implementation of a more effective temperature control during thermoforming to avoid reinforcement relaxation and localized melting. Artificial weathering was conducted under noon summer light condition to assess the effect of ultraviolet exposure on laminates. After 100 and 250 h, sample performance drops significantly, with overall strength and elongation reduction up to 70 and 88%, respectively. Low molecular weight by‐products were identified using Raman spectroscopy on specimens surface, confirming the mechanical property decrement due to photo‐oxidation process. © 2014 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2015 , 132, 41283. 相似文献
70.
Vincenzo Petrozza Antonio Carbone Teresa Bellissimo Natale Porta Giovanni Palleschi Antonio Luigi Pastore Angelina Di Carlo Carlo Della Rocca Francesco Fazi 《International journal of molecular sciences》2015,16(12):29219-29225
A key challenge for the improvement of clear cell renal cell carcinoma (ccRCC) management could derive from a deeper characterization of the biology of these neoplasms that could greatly improve the diagnosis, prognosis and treatment choice. The aim of this study was to identify specific miRNAs that are deregulated in tumor vs. normal kidney tissues and that could impact on the biology of ccRCC. To this end we selected four miRNAs (miR-21-5p, miR-210-3p, miR-185-5p and miR-221-3p) and their expression has been evaluated in a retrospective cohort of formalin-fixed paraffin-embedded (FFPE) tissues from 20 ccRCC patients who underwent surgical nephrectomy resection. miR-21-5p and miR-210-3p resulted the most significantly up-regulated miRNAs in this patient cohort, highlighting these onco-miRNAs as possible relevant players involved in ccRCC tumorigenesis. Thus, this study reports the identification of specific oncogenic miRNAs that are altered in ccRCC tissues and suggests that they might be useful biomarkers in ccRCC management. 相似文献