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排序方式: 共有460条查询结果,搜索用时 27 毫秒
1.
Adele Boccuto Filippo Dragoni Francesca Picarazzi Alessia Lai Carla Della Ventura Carla Veo Federica Giammarino Francesco Saladini Gianguglielmo Zehender Maurizio Zazzi Mattia Mori Ilaria Vicenti 《International journal of molecular sciences》2021,22(5)
The nucleotide analog sofosbuvir, licensed for the treatment of hepatitis C, recently revealed activity against the Zika virus (ZIKV) in vitro and in animal models. However, the ZIKV genetic barrier to sofosbuvir has not yet been characterized. In this study, in vitro selection experiments were performed in infected human hepatoma cell lines. Increasing drug pressure significantly delayed viral breakthrough (p = 0.029). A double mutant in the NS5 gene (V360L/V607I) emerged in 3 independent experiments at 40–80 µM sofosbuvir resulting in a 3.9 ± 0.9-fold half- maximal inhibitory concentration (IC50) shift with respect to the wild type (WT) virus. A triple mutant (C269Y/V360L/V607I), detected in one experiment at 80 µM, conferred a 6.8-fold IC50 shift with respect to the WT. Molecular dynamics simulations confirmed that the double mutant V360L/V607I impacts the binding mode of sofosbuvir, supporting its role in sofosbuvir resistance. Due to the distance from the catalytic site and to the lack of reliable structural data, the contribution of C269Y was not investigated in silico. By a combination of sequence analysis, phenotypic susceptibility testing, and molecular modeling, we characterized a double ZIKV NS5 mutant with decreased sofosbuvir susceptibility. These data add important information to the profile of sofosbuvir as a possible lead for anti-ZIKV drug development. 相似文献
2.
P. Carrasqueira H. Rocha J. M. Dias T. Ventura B. C. Ferreira M. C. Lopes 《International Transactions in Operational Research》2023,30(1):206-223
Radiation therapy is a technology-driven cancer treatment modality that has experienced significant advances over the last decades, due to multidisciplinary contributions that include engineering and computing. Recent technological developments allow the use of noncoplanar volumetric modulated arc therapy (VMAT), one of the most recent photon treatment techniques, in clinical practice. In this work, an automated noncoplanar arc trajectory optimization framework designed in two modular phases is presented. First, a noncoplanar beam angle optimization algorithm is used to obtain a set of noncoplanar irradiation directions. Then, anchored in these directions, an optimization strategy is proposed to compute an optimal arc trajectory. The computational experiments considered a pool of twelve difficult head-and-neck tumor cases. It was possible to observe that, for some of these cases, the optimized noncoplanar arc trajectories led to significant treatment planning quality improvements, when compared with coplanar VMAT treatment plans. Although these experiments were done in a research environment treatment planning software (matRad), the conclusions can be of interest for a clinical setting: automated procedures can simplify the current treatment workflow, produce high-quality treatment plans, making better use of human resources and allowing for unbiased comparisons between different treatment techniques. 相似文献
3.
We propose a general framework to study the relationship between the price of a painting and its color‐related attributes. To this end we focus on four key aspects: dominant colors, features of the color palette, color harmony, and color emotions. We demonstrate the usefulness of this approach with an example based on Mark Rothko's post‐1950 paintings (the “rectangular” series), and auction data from the 1994 to 2018 period. We identify two distinct price‐color regimes in Rothko's market: (a) [1994‐2005], a period in which prices are explained mainly by the growing popularity of the artist regardless of the color attributes of the paintings sold; and (b) [2006‐2018], a period in which color‐related attributes explain most of the prices. Furthermore, we find that in this second period, the dominant colors and the diversity of the color palette, are by far the most relevant attributes that influence the price; color harmony and color emotions hold almost no explanatory power during this period. Finally, we propose a new metric based on the Herfindahl Index to describe color diversity; this metric seems to be promising at characterizing the effect of the color palette on the price of a painting. 相似文献
4.
Professor Utkin proposed an example showing that the amplitude of chattering caused by the presence of parasitic dynamics (stable actuators) in some systems governed by the First‐Order Sliding‐Mode Controller is lower than that produced by the Super‐Twisting Algorithm. This example served to motivate this paper reconsidering the problem of comparison of chattering in systems with stable actuators, and driven by Discontinuous Sliding‐Mode Controllers (DSMCs) and Continuous Sliding‐Mode Controllers (CSMCs). Comparison of chattering produced by DSMC and CSMC taking into account their amplitudes, frequencies, and average power (AP) needed to maintain the system into real‐sliding modes, allowing to conclude the following: (i) for systems with slow actuators, the amplitude of oscillations and AP produced by DSMC be smaller than those caused by CSMC; (ii) for bounded disturbances with fixed Lipschitz constant, there exist sufficiently fast actuators for which the amplitude of oscillations and AP produced by CSMC be smaller than those caused by DSMC. 相似文献
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Alejandra M. Peter Ventura Dr. Simone Haeberlein Dr. Kerstin Lange-Grünweller Prof. Dr. Arnold Grünweller Prof. Dr. Roland K. Hartmann Prof. Dr. Christoph G. Grevelding Prof. Dr. Martin Schlitzer 《ChemMedChem》2019,14(21):1856-1862
The parasitic disease schistosomiasis is the cause of more than 200 000 human deaths per year. Although the disease is treatable, there is one major shortcoming: praziquantel has been the only drug used to combat these parasites since 1977. The risk of the emergence of resistant schistosomes is known to be increasing, as a reduced sensitivity of these parasites toward praziquantel has been observed. We developed a new class of substances, which are derived from inhibitors of human aldose reductase, and which showed promising activity against Schistosoma mansoni couples in vitro. Further optimisation of the compounds led to an increase in anti-schistosomal activity with observed phenotypes such as reduced egg production, vitality, and motility as well as tegumental damage and gut dilatation. Here, we performed structure–activity relationship studies on the carboxylic acid moiety of biarylalkyl carboxylic acids. Out of 82 carboxylic acid amides, we identified 10 compounds that are active against S. mansoni at 25 μm . The best five compounds showed an anti-schistosomal activity up to 10 μm and induced severe phenotypes. Cytotoxicity tests in human cell lines showed that two derivatives had no cytotoxicity at 50 or 100 μm . These compounds are promising candidates for further optimisation toward the new anti-schistosomal agents. 相似文献
8.
Enrique Alvarez‐Guerra Angel Irabien Sónia P. M. Ventura João A. P. Coutinho 《American Institute of Chemical Engineers》2014,60(10):3577-3586
Ionic liquid‐based three‐phase partitioning (ILTPP) is a promising technique to recover high‐added value proteins at the liquid–liquid interface. Its economic and environmental performance highly depends on the net ionic liquid consumption. Alternatives to maximize the fraction of ionic liquid that can be recycled are studied. It is demonstrated that the addition of extra salt, previously proposed in literature, has a very limited effect on ionic liquid recovery for relatively high protein concentrations in the feed stream, and that it may even lead to an increase of the ionic liquid losses under certain conditions. However, small additions of salt are shown to be effective and profitable from an economic point of view. Vacuum evaporation is shown to allow for the complete ionic liquid and salt recovery, reinforcing the sustainability and viability of ILTPP processes. © 2014 American Institute of Chemical Engineers AIChE J, 60: 3577–3586, 2014 相似文献
9.
The Synthesis and Biological Evaluation of Multifunctionalised Derivatives of Noscapine as Cytotoxic Agents 下载免费PDF全文
Aaron J. DeBono Dr. Sarah J. Mistry Jinhan Xie Divya Muthiah Jackson Phillips Dr. Sabatino Ventura Dr. Richard Callaghan Prof. Colin W. Pouton Dr. Ben Capuano Prof. Peter J. Scammells 《ChemMedChem》2014,9(2):399-410
Noscapine, a phthalideisoquinoline alkaloid derived from Papaver somniferum, is a well‐known antitussive drug that has a relatively safe in vitro toxicity profile. Noscapine is also known to possess weak anticancer efficacy, and since its discovery, efforts have been made to design derivatives with improved potency. Herein, the synthesis of a series of noscapine analogues, which have been modified in the 6′, 9′, 1 and 7‐positions, is described. In a previous study, replacement of the naturally occurring N‐methyl group in the 6′‐position with an N‐ethylaminocarbonyl was shown to promote cell‐cycle arrest and cytotoxicity against three cancer cell lines. Here, this modification has been combined with other structural changes that have previously been shown to improve anticancer activity, namely halo substitution in the 9′‐position, regioselective O‐demethylation to reveal a free phenol in the 7‐position, and reduction of the lactone to the corresponding cyclic ether in the 1‐position. The incorporation of new aryl substituents in the 9′‐position was also investigated. The study identified interesting new compounds able to induce G2/M cell‐cycle arrest and that possess cytotoxic activity against the human prostate carcinoma cell line PC3, the human breast adenocarcinoma cell line MCF‐7, and the human pancreatic epithelioid carcinoma cell line PANC‐1. In particular, the ethyl urea cyclic ether noscapinoids and a compound containing a 6′‐ethylaminocarbonyl along with 9′‐chloro, 7‐hydroxy and lactone moieties exhibited the most promising biological activities, with EC50 values in the low micromolar range against all three cancer cell lines, and these derivatives warrant further investigation. 相似文献
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