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排序方式: 共有10000条查询结果,搜索用时 15 毫秒
51.
Dr. David Xu Dr. Khuchtumur Bum-Erdene Julie M. Leth Mona K. Ghozayel Prof. Michael Ploug Prof. Samy O. Meroueh 《ChemMedChem》2021,16(2):377-387
The urokinase receptor (uPAR) is a cell surface receptor that binds to the serine protease urokinase-type plasminogen activator (uPA) with high affinity. This interaction is beneficial for extravascular fibrin clearance, but it has also been associated with a broad range of pathological conditions including cancer, atherosclerosis, and kidney disease. Here, starting with a small molecule that we previously discovered by virtual screening and cheminformatics analysis, we design and synthesize several derivatives that were tested for binding and inhibition of the uPAR ⋅ uPA interaction. To confirm the binding site and establish a binding mode of the compounds, we carried out biophysical studies using uPAR mutants, among them uPARH47C−N259C, a mutant previously developed to mimic the structure of uPA-bound uPAR. Remarkably, a substantial increase in potency is observed for inhibition of uPARH47C−N259C binding to uPA compared to wild-type uPAR, consistent with our use of the structure of uPAR in its uPA-bound state to design small-molecule uPAR ⋅ uPA antagonists. Combined with the biophysical studies, molecular docking followed by extensive explicit-solvent molecular dynamics simulations and MM-GBSA free energy calculations yielded the most favorable binding pose of the compound. Collectively, these results suggest that potent inhibition of uPAR binding to uPA with small molecules will likely only be achieved by developing small molecules that exhibit high-affinity to solution apo structures of uPAR, rather than uPA-bound structures of the receptor. 相似文献
52.
This paper reports an investigation on the structure-properties correlation of trivalent metal oxide (Al2O3)-doped V2O5 ceramics synthesized by the melt-quench technique. XRD patterns confirmed a single orthorhombic V2O5 phase formation with increasing strain on the doping of Al2O3 in place of V2O5 in the samples estimated by Williamson-Hall analysis. FTIR and Raman investigations revealed a structural change as [VO5] polyhedra converts into [VO4] polyhedra on the doping of Al2O3 into V2O5. The optical band gap was found in a wide semiconductor range as confirmed by UV–visible spectroscopy analysis. The thermal and conductivity behavior of the prepared samples were studied using thermal gravimetric analysis (TGA) and impedance analyzer, respectively. All the prepared ceramics exhibit good DC conductivity (0.22–0.36 Sm-1) at 400 ?C. These materials can be considered for intermediate temperature solid oxide fuel cell (IT-SOFC)/battery applications due to their good conductivity and good thermal stability. 相似文献
53.
K.P. Andryushin L.A. Shilkina I.N. Andryushina M.O. Moysa D.I. Rudsky L.A. Reznichenko 《Ceramics International》2021,47(1):138-148
Experimental research of the crystal structure, polarization properties, and reverse nonlinearity of ceramic solid solutions of the (1-x) (Na0·5K0.5)NbO3-xPb(Ti0·5Zr0.5)O3 (KNN-PZT) quasi-binary system with 0.0 = x ≤ 1.0 in a wide range of external influences (temperatures, strength of dc/ac fields) has been done. Based on the X-ray structural data, an x-T diagram of the system has been constructed, and correlations of the behavior of the macroproperties of solid solutions with the features of their phase states with the temperature change have been established. It has been concluded that it is advisable to use the proposed compositions when designing microelectronic devices operating in various extreme conditions. 相似文献
54.
Grischenko D. N. Papynov E. K. Medkov M. A. 《Theoretical Foundations of Chemical Engineering》2021,55(5):1002-1009
Theoretical Foundations of Chemical Engineering - The paper focuses on synthesis of bioactive glass with tailored properties achieved by doping it with oxides of different elements. The bioglass... 相似文献
55.
The current demand for high-refractive index materials is very high due to their importance in optoelectronic applications. Such materials already exist in the market, but they present many disadvantages. They might contain toxic metals; their preparation can be challenging or produce high quantity of waste. Consequently, there is an urgent need to produce new friendly coatings with high-refractive index. Hybrid organic–inorganic polysiloxanes can offer a solution to this problem. They can be easily prepared from nontoxic alkoxy silanes using the sol–gel chemistry process. Herein, a series of new hybrid polysiloxanes are synthesized from the monomer 1–(2–(triethoxysilyl)ethyl)triphenylsilane and other silanes. The preparation of the macromolecules is optimized at both stages of the sol–gel process. The polymers are characterized by gel permeation chromatography and NMR spectroscopy. Spin coating of the materials on silicon wafers, followed by film thickness and refractive index measurements, indicates that the new polysiloxanes can have refractive indexes as high as 1.6 with thicknesses varying from 2200 to 3700 nm. Consequently, it is expected that the new materials described in this report are valuable for optoelectronic applications such as high-dielectric constant (high-k) gate oxides, interlayer high-k dielectrics, or high-refractive index abrasion resistant coatings. 相似文献
56.
Amanat Ali Elizabeth K. M. Johnstone Bincy Baby Heng B. See Angela Song K. Johan Rosengren Kevin D. G. Pfleger Mohammed Akli Ayoub Ranjit Vijayan 《International journal of molecular sciences》2021,22(1)
Hemorphins are known for their role in the control of blood pressure. Recently, we revealed the positive modulation of the angiotensin II (AngII) type 1 receptor (AT1R) by LVV-hemorphin-7 (LVV-H7) in human embryonic kidney (HEK293) cells. Here, we examined the molecular binding behavior of LVV-H7 on AT1R and its effect on AngII binding using a nanoluciferase-based bioluminescence resonance energy transfer (NanoBRET) assay in HEK293FT cells, as well as molecular docking and molecular dynamics (MD) studies. Saturation and real-time kinetics supported the positive effect of LVV-H7 on the binding of AngII. While the competitive antagonist olmesartan competed with AngII binding, LVV-H7 slightly, but significantly, decreased AngII’s kD by 2.6 fold with no effect on its Bmax. Molecular docking and MD simulations indicated that the binding of LVV-H7 in the intracellular region of AT1R allosterically potentiates AngII binding. LVV-H7 targets residues on intracellular loops 2 and 3 of AT1R, which are known binding sites of allosteric modulators in other GPCRs. Our data demonstrate the allosteric effect of LVV-H7 on AngII binding, which is consistent with the positive modulation of AT1R activity and signaling previously reported. This further supports the pharmacological targeting of AT1R by hemorphins, with implications in vascular and renal physiology. 相似文献
57.
Glass and Ceramics - Ceramic bricks based on low-melting clay and ferro-dust from self-disintegrating, low-carbon, ferrochrome slags, graded from M100 to M175, respectively, were obtained in the... 相似文献
58.
Wireless Personal Communications - In recent years, the emergence of Internet of things and cyber-physical system provide a proactive and efficacious solution to enable remote monitoring, machine... 相似文献
59.
Multimedia Tools and Applications - In this paper, a hashing based watermarking technique for the protection and authentication of document image is proposed. Message Digest 5 (MD5) hashing is... 相似文献
60.
Russian Microelectronics - In the development of promising ULIS scaling technologies, one of the key roles is played by porous dielectrics with a low permittivity used to isolate interconnects in a... 相似文献