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1.
《Arabian Journal of Chemistry》2022,15(1):103492
Matrix metalloproteinases (MMPs) are a large family of zinc-dependent endoproteases known to exert multiple regulatory roles in tumor progression. A variety of chemical classes have been explored for targeting individual MMP isoforms. In the present study, we further developed our isatin based scaffold BB0223107 capable of binding to and inactivating MMP-2 in a zinc-independent manner (Agamennone et al., 2016). Forty four new compounds were synthesized based on the modified BB0223107. All compounds were tested in enzyme inhibition assays against MMP-2, ?8 and ?13. SAR studies demonstrated that 5-het(aryl)-3-aminoindolin-2-ones (37–39) were active toward MMP-2 and MMP-13. The most potent compounds 33 and 37 displayed an IC50 of 3 µM against MMP-13 and showed a negligible activity toward MMP-8; almost all new compounds were inactive toward MMP-8. Replacement of the isatin ring with a biaryl system (compound 33) did not decrease the potency against MMP-13 but reduced the selectivity. Structure-based computational studies were carried out to rationalize the inhibitory activity data. The analysis of binding geometries confirmed that all fragments occupied the S1′ site in the three enzymes while no ligand was able to bind the catalytic zinc ion. To the best of our knowledge, this is the first example of 3-aminoindolin-2-one-based MMP inhibitors that, based on the computer modeling study, do not coordinate the zinc ion. Thus, the het(aryl)-3-aminoindolin-2-one derivatives emerge as a drug-like and promising chemotype that, along with the hetaryl variations, represents an alternative and thrifty tool for chemical space exploration aimed at MMP inhibitor design. 相似文献
2.
Profiling engineered data with robust mining methods continues attracting attention in knowledge engineering systems. The purpose of this article is to propose a simple technique that deals with non-linear multi-factorial multi-characteristic screening suitable for knowledge discovery studies. The method is designed to proactively seek and quantify significant information content in engineered mini-datasets. This is achieved by deploying replicated fractional-factorial sampling schemes. Compiled multi-response data are converted to a single master-response effectuated by a series of distribution-free transformations and multi-compressed data fusions. The resulting amalgamated master response is deciphered by non-linear multi-factorial stealth stochastics intended for saturated schemes. The stealth properties of our method target processing datasets which might be overwhelmed by a lack of knowledge about the nature of reference distributions at play. Stealth features are triggered to overcome restrictions regarding the data normality conformance, the effect sparsity assumption and the inherent collapse of the ‘unexplainable error’ connotation in saturated arrays. The technique is showcased by profiling four ordinary controlling factors that influence webpage content performance by collecting data from a commercial browser monitoring service on a large scale web host. The examined effects are: (1) the number of Cascading Style Sheets files, (2) the number of JavaScript files, (3) the number of Image files, and (4) the Domain Name System Aliasing. The webpage performance level was screened against three popular characteristics: (1) the time to first visual, (2) the total loading time, and (3) the customer satisfaction. Our robust multi-response data mining technique is elucidated for a ten-replicate run study dictated by an L9(34) orthogonal array scheme where any uncontrolled noise embedded contribution has not been necessarily excluded. 相似文献
3.
Frédéric Chérioux Bernard Gauthier-Manuel Thierry Grenut 《Applied Surface Science》2007,253(14):6140-6143
The complexity of modern engineered surfaces requires the development of very powerful methods to analyze and characterize them. We demonstrate that it is possible to obtain chemical information about the skeleton of organic molecules constituting SAMs grafted on a silicon surface by using a new type of SIMS method. A profile can be achieved by the investigation of the temporal variation of secondary ion intensities that correspond to the fractional parts of the molecule constituting the SAMs. The equivalent ablation rate is less than 0.5 nm/min. 相似文献
4.
The theory of free-carrier absorption (FCA) is developed, in the extreme quantum limit when the carriers are assumed to populate
only the lowest quantized energy level, for quasi-two and one-dimensional semiconducting quantum well structures where the
carriers are scattered by ionized impurities. The radiation field is assumed to be polarized in the plane of the layer in
the quasi-two-dimensional case and along the length of the wire in the quasi-one-dimensional case. Expressions for FCA are
obtained for the cases where the impurities are either in the well (background impurities) or outside the well (remote impurities).
Variation of FCA is numerically studied with photon frequency and well width. 相似文献
5.
The diffusion of the anti-microbial chlorhexidine digluconate (CHG) has been studied in C. albicans biofilms by time-of-flight secondary-ion mass spectrometry (TOF-SIMS). C. albicans has been shown to become resistant to common anti-microbial agents, including CHG, when growing as a biofilm. Mass transport resistance within biofilms has commonly been suggested as a resistance mechanism, but measurement of transport for most anti-microbial agents in biofilms has proven extremely difficult because of the heterogeneity of the biofilms and the difficulty in detecting these agents within an intact biofilm. In this study, TOF-SIMS has been used to study the transport of CHG and glucose in a frozen hydrated biofilm. The TOF-SIMS images reveal a progression of CHG from the top of the biofilm to its base with time. Images suggest that there are channels within the biofilm and show preferential binding of CHG to cellular components of the biofilm. Additionally, both living and dead cells can be identified in the TOF-SIMS images by the sequestration of K+ and the presence of cell markers. This study demonstrates that TOF-SIMS has the unique potential to simultaneously observe the presence of an antimicrobial agent, concentration of nutrients, and the viability of the cell population. 相似文献
6.
Absorption and luminiscence measurements were performed on lead-doped KCl:KI mixed single crystals. Strong differences were found between as-grown and quenched samples. New bands were observed in the absorption spectra of unquenched samples in the spectral region between the limit positions of the A bands, corresponding to chloride or iodide lattices. The strong band at 449 nm dominates the luminescence of these samples at low temperatures. Its kinetics have a complicated form and the decay time is in the interval from ns to ms. Quenched samples have a well-known luminescence spectrum caused by octahedral lead impurity centres in KCl single crystals. The kinetics, however, also indicate mixed chlorine and iodine coordination of lead in the investigated crystals. 相似文献
7.
EXAFS study of liposome-encapsulated cisplatin 总被引:1,自引:0,他引:1
《Colloids and surfaces. B, Biointerfaces》2004,33(3-4):199-204
The anticancer agent cisplatin encapsulated in sterically stabilized liposomes is studied with extended X-ray absorption fine structure (EXAFS) method. Analysis of local atomic structure around Pt atoms clearly indicates that the liposome-encapsulated drug is chemically stable and does not hydrolyze. Cisplatin forms a supersaturated solution in the liposome interior at a concentration about eight-fold above its aqueous solubility. 相似文献
8.
Phenomena accompanying electrochemical doping of solid fullerene films with potassium were studied by sputter ion depth profiling
(XPS and SIMS). The potassium distribution was determined, and artifacts associated with possible damage of the layer composition
caused by ion impact were investigated and discussed. To compare the charge transfer while reductive doping is taking place
at fullerene/solution interface with doping from gas phase, model layers were prepared and doped by potassium under UHV conditions.
It was found that sputtering by Ar+ primary ions yields both accurate information on the alkaline metal distribution and on its concentration. Sputtering by
O+ ions led to an enrichment of potassium, apparently due to the reactivity of oxygen with the fullerene matrix. It is shown
that the reductive doping starts at the fullerene/solution interface. The concentration of potassium in the doped films was
found to be lower than expected from the charge transferred during the electrochemical reduction. Other phase transformations
such as hydrogenation are discussed.
Received March 4, 2002; accepted July 26, 2002 相似文献
9.
T. K. Solovykh 《Journal of Applied Spectroscopy》1997,64(5):654-657
The role of impurity ions in formation of the optical properties of rare-earth orthoferrites is investigated. Optical spectra
of the substituted against unsubstituted orthoferrites are presented. The influence of different isovalent substitutions on
the optical absorption of orthoferrites that are promising for magnetooptics is studied.
Institute of Solid-State and Semiconductor Physics of the Academy of Sciences of Belarus, 17, P. Brovka St., Minsk, 220072,
Belarus. Translated from zhurnal Prikladnoi Spektroskopii, Vol. 64, No. 5, pp. 642–645, September–October, 1997. 相似文献
10.