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71.
Potential mGAT4 inhibitors derived from the lead substance (S)-SNAP-5114 have been synthesized and characterized for their inhibitory potency. Variations from the parent compound included the substitution of one of its aromatic 4-methoxy and 4-methoxyphenyl groups, respectively, with a more polar moiety, including a carboxylic acid, alcohol, nitrile, carboxamide, sulfonamide, aldehyde or ketone function, or amino acid partial structures. Furthermore, it was investigated how the substitution of more than one of the aromatic 4-methoxy groups affects the potency and selectivity of the resulting compounds. Among the synthesized test substances (S)-1-{2-[(4-formylphenyl)bis(4-methoxyphenyl)-methoxy]ethyl}piperidine-3-carboxylic acid, that features a carbaldehyde function in place of one of the aromatic 4-methoxy moieties of (S)-SNAP-5114, was found to have a pIC50 value of 5.89±0.07, hence constituting a slightly more potent mGAT4 inhibitor than the parent substance while showing comparable subtype selectivity. 相似文献
72.
Carbohydrates and their conjugates play important roles in many biological processes including fertilization, differentiation, development, immune response, and infection. Their activities are largely dependent on the properties of terminal mono‐ or disaccharides. Galactose, mannose, fucose, glucose, sialic acid, etc., are commonly used as powerful scaffolds installed on drug molecules for targeting specific tissues including brain, liver, and cancers, and as epitopes for enhancing the targeting of various vaccines. This review focuses on the influence of their structural variations, including changes in sugar type, substituent groups and their positions, as well as length of linker portion, on the targeting of drugs or their efficacy. Particular attention is paid to the targeting properties of mono‐ and disaccharides applied in drug design and discovery. 相似文献
73.
Edwin A. Murillo 《应用聚合物科学杂志》2020,137(8):48386
Waterborne star-shaped styrene-alkyd resins (SSARs) were synthesized from a branched alkyd resin (AR) and styrene (St) by miniemulsion polymerization. SSARs are an environmentally friendly material. The ratio of AR to St for obtaining SSARs was as follows: 50:50 (SSAR1), 60:40 (SSAR2), 70:30 (SSAR3), and 80:20 (SSAR4). The conversion percentage was directly proportional to St used, and was higher than 94.0 %. Infrared analysis and protonic nuclear magnetic resonance revealed the reaction between AR and St. The synthesis process also leads to the formation of polystyrene and its concentration increases with the concentration of St. The values of the reacted double-bond fractions were higher than 17.80%. The SSARs drop size was bigger than the particle size. The miniemulsion colloidal stability was good at room temperature. The SSARs zeta potential was between −55 and −90 mV. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2020 , 137, 48386. 相似文献
74.
Dr. Andrija Smelcerovic Dr. Jelena Lazarevic Katarina Tomovic Marija Anastasijevic Dr. Marko Jukic Dr. Gordana Kocic Dr. Marko Anderluh 《ChemMedChem》2019,14(5):514-521
Due to uncomfortable injection regimens of peptidic agonists of glucagon-like peptide-1 receptor (GLP-1R), orally available nonpeptide positive allosteric modulators (PAMs) of GLP-1Rs are foreseen as the possible future mainstream therapy for type 2 diabetes. Herein, current GLP-1R PAMs are reviewed. Based on the effectiveness and in silico predicted physicochemical properties, pharmacokinetics, and toxicity, possible candidates for further development as oral drugs were selected. The suggestion is that GLP-1R PAMs might be used orally alone or in combination with dipeptidyl peptidase-4 (DPP-4) inhibitors, which could offer an optimal treatment option next to metformin monotherapy in type 2 diabetes mellitus, or in a wider spectrum of indications. Quercetin acts as a GLP-1R PAM and DPP-4 inhibitor, and therefore, might be considered as a pioneering agent with a dual mechanism of action, in terms of GLP-1R positive allosteric modulation and DPP-4 inhibition for potentiating GLP-1 dependent effects. 相似文献
75.
Dr. Mathieu Lalande Dr. Lucas Schwob Dr. Violaine Vizcaino Dr. Fabien Chirot Dr. Philippe Dugourd Dr. Thomas Schlathölter Dr. Jean-Christophe Poully 《Chembiochem : a European journal of chemical biology》2019,20(24):2972-2980
In this review, recent progress in understanding the direct effects of radiation on the structure and stability of collagen, the most abundant protein in the human body, and other proteins is surveyed. Special emphasis is placed on the triple-helical structure of collagen, as studied by means of collagen mimetic peptides. The emerging patterns are the dose dependence of radiation processes and their abundance, the crucial role of radicals in covalent-bond formation (crosslinking) or cleavage, and the influence of the radiation energy and nature. Future research should allow fundamental questions, such as charge transfer and fragmentation dynamics triggered by ionization, to be answered, as well as developing applications such as protein-based biomaterials, notably with properties controlled by irradiation. 相似文献
76.
Using detailed micro-level survey data for three advanced European welfare-state economies (Germany, Netherlands and UK), our analyses suggest a fairly common hierarchy to homeownership, according to partnership status, exists. In all three countries, a variety of interrelated factors appear to encourage greater propensities for homeownership amongst co-residential households (married/cohabiting), as compared to single-person households. However, important macro-contextual differences do appear to play a significant role in mediating the magnitude of difference within this hierarchy. For instance, in Germany the importance of marriage as a predictor of homeownership is found to be particularly strong, with married couples having far higher propensities for homeownership, even when compared to non-married cohabiters. In the Netherlands and UK, where an emphasis on traditional family and marriage is less pronounced, and where homeownership is generally more popular and accessible, the differentiation between married/unmarried partners is greatly reduced. Furthermore, we find no evidence to suggest that living-apart-together partners are more/less likely to own their home than singles. 相似文献
77.
Dr. Holger Siebeneicher Dr. Arwed Cleve Dr. Hartmut Rehwinkel Dr. Roland Neuhaus Dr. Iring Heisler Dr. Thomas Müller Dr. Marcus Bauser Dr. Bernd Buchmann 《ChemMedChem》2016,11(20):2261-2271
Despite the long‐known fact that the facilitative glucose transporter GLUT1 is one of the key players safeguarding the increase in glucose consumption of many tumor entities even under conditions of normal oxygen supply (known as the Warburg effect), only few endeavors have been undertaken to find a GLUT1‐selective small‐molecule inhibitor. Because other transporters of the GLUT1 family are involved in crucial processes, these transporters should not be addressed by such an inhibitor. A high‐throughput screen against a library of ~3 million compounds was performed to find a small molecule with this challenging potency and selectivity profile. The N‐(1H‐pyrazol‐4‐yl)quinoline‐4‐carboxamides were identified as an excellent starting point for further compound optimization. After extensive structure–activity relationship explorations, single‐digit nanomolar inhibitors with a selectivity factor of >100 against GLUT2, GLUT3, and GLUT4 were obtained. The most promising compound, BAY‐876 [N4‐[1‐(4‐cyanobenzyl)‐5‐methyl‐3‐(trifluoromethyl)‐1H‐pyrazol‐4‐yl]‐7‐fluoroquinoline‐2,4‐dicarboxamide], showed good metabolic stability in vitro and high oral bioavailability in vivo. 相似文献
78.
In designing human–machine interfaces, it may be necessary for designers to simulate the interface in order to find an acceptable arrangement of controls and displays which have a high expectancy of the relationship between these. We report experiments aimed at determining the level of simulation required to obtain valid measures of stereotype strength relating control movement to display movement. Two experiments are reported, using devices of apparently low and high complexity. Low complexity devices were similar to electronic devices that might be used in the home; the chosen high complexity device was a crane control cabin. For two-dimensional control/display arrangements a low level of simulation generally gave valid results for stereotype strength; a high level of simulation is required for three-dimensional arrangements. With the more complex crane control system, there was a strong effect of the control layout, but little effect of the level of simulation: paper/pencil tests performed as well as computer simulation in giving stereotype strengths. Implications for designers are discussed. 相似文献
79.
John F. Rushing Masoud K. Darabi Eisa Rahmani Dallas N. Little 《International Journal of Pavement Engineering》2017,18(2):138-159
This study presents the rutting performance results of full-scale pavement test sections subjected to F-15E and C-17 aircraft wheels at two different temperatures. Pavement structures for the tests were constructed under shelter in the U.S. Army Engineer Research and Development Center's (ERDC) pavement test facility. The full-scale test results are used to validate viscoelastic, viscoplastic and hardening-relaxation constitutive relationships implemented in the Pavement Analysis Using Nonlinear Damage Approach (PANDA) model. PANDA is a mechanistic-based model which incorporates nonlinear viscoelastic, viscoplastic, hardening-relaxation, viscodamage, moisture-induced damage and ageing constitutive relationships. Results of dynamic modulus and different repeated creep-recovery laboratory tests are analysed to extract the parameters associated with viscoelastic, viscoplastic and hardening-relaxation constitutive relationships implemented in PANDA. Once calibrated, PANDA is used to predict the rutting performance observed in full-scale pavement test sections. The simulation results illustrate that PANDA is capable of predicting the rutting of airfield pavements subjected to heavy aircraft wheel loads at intermediate and high temperatures. It is shown that PANDA successfully predicts the effect of shear flow and upheaval at the edges of the wheel. The data from simulation suggested that PANDA, once calibrated, can provide insight into the critical locations of tensile and compressive stresses within the pavement structure. PANDA simulations not only provide a tool for evaluating existing structures, but also can be used in designing more sustainable pavement structures and materials. 相似文献
80.
To cope with computing power limitations, air quality models that are used in integrated assessment applications are generally approximated by simpler expressions referred to as “source-receptor relationships (SRR)”. In addition to speed, it is desirable for the SRR also to be spatially flexible (application over a wide range of situations) and to require a “light setup” (based on a limited number of full Air Quality Models - AQM simulations). But “speed”, “flexibility” and “light setup” do not naturally come together and a good compromise must be ensured that preserves “accuracy”, i.e. a good comparability between SRR results and AQM.In this work we further develop a SRR methodology to better capture spatial flexibility. The updated methodology is based on a cell-to-cell relationship, in which a bell-shape function links emissions to concentrations. Maintaining a cell-to-cell relationship is shown to be the key element needed to ensure spatial flexibility, while at the same time the proposed approach to link emissions and concentrations guarantees a “light set-up” phase. Validation has been repeated on different areas and domain sizes (countries, regions, province throughout Europe) for precursors reduced independently or contemporarily. All runs showed a bias around 10% between the full AQM and the SRR.This methodology allows assessing the impact on air quality of emission scenarios applied over any given area in Europe (regions, set of regions, countries), provided that a limited number of AQM simulations are performed for training. 相似文献