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《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
3.
研究来源于多元统计分析中的一类矩阵迹函数最小化问题$\min c+ tr(AX)+\sum\limits_{j=1}^{m}tr(B_j X C_jX^{T}),\ \ {\rm s. t.} \ X^TX=I_p,$其中$c$为常数, $A\in R^{p\times n}\ (n\geq p)$, $B_j\in R^{n\times n}, C_j\in R^{p\times p}$为给定系数矩阵. 数值实验表明已有的Majorization算法虽可行, 但收敛速度缓慢且精度不高. 本文从黎曼流形的角度重新研究该问题, 基于Stiefel流形的几何性质, 构造一类黎曼非单调共轭梯度迭代求解算法, 并给出算法收敛性分析.数值实验和数值比较验证所提出的算法对于问题模型是高效可行的. 相似文献
4.
以典型的双稳态系统——屈曲梁结构为例,基于等效模型,结合解析、数值和实验手段,研究了双稳态结构中的1/2次谐波共振特性、演化过程、参数调节规律及其对隔振特性的影响.研究发现,当非线性刚度系数或激励幅值增加到一定程度时,系统会在一定带宽下产生显著的1/2次谐波共振;随着激励幅值增加,阻尼系统的1/2次谐波遵循“产生-增强-衰退-消失”的过程,该过程对峰值频率和峰值传递率有重要影响;适当提高非线性强度能有效改善双稳态结构隔振特性.针对双稳态屈曲梁结构开展的实验验证了1/2次谐波特性和隔振特性变化规律. 相似文献
5.
Sergei V. Chapyshev Denis V. Korchagin Paulo Costa Wolfram Sander 《Magnetic resonance in chemistry : MRC》2022,60(8):829-835
The first X-band EPR spectrum containing only non-overlapping signals of septet pyridyl-2,4,6-trinitrene and triplet pyridylnitrenes is reported. This spectrum was recorded after photolysis of 2,4,6-triazidopyridine in solid argon at 5 K. The zero-field splitting (ZFS) parameters of this trinitrene as well as of intermediate triplet mononitrenes and quintet dinitrenes formed at early stages of the photolysis were determined using the combination of modern computer line-shape spectral simulations and density functional theory (DFT) calculations. It was found that septet pyridyl-2,4,6-trinitrene has the record negative parameter DS = −0.1031 cm−1 among all known to date septet pyridyl-2,4,6-trinitrenes and may be of interest as a model multi-qubit spin system for investigations of quantum computation processing. 相似文献
6.
Olaf Hübner Hans‐Jrg Himmel 《Angewandte Chemie (International ed. in English)》2020,59(29):12206-12212
Dinuclear compounds of early transition metals with a high metal–metal bond order are of fundamental interest due to their intriguing bonding situation and of practical interest because of their potential involvement in catalytic processes. In this work, two isomers of V2H2 have been generated in solid Ne by the reaction between V2 and H2 and detected by infrared spectroscopy: the linear HVVH molecule (3Σg? ground state), which is the product of the spin‐allowed reaction between V2 (3Σg? ground state) and H2, and a lower‐energy, folded V2(μ‐H)2 isomer (1A1 ground state) with two bridging hydrogen atoms. Both isomers are characterized by metal–metal bonding with a high bond order; the orbital occupations point to quadruple bonding. Irradiation with ultraviolet light induces the transformation of linear HVVH to folded V2(μ‐H)2, whereas irradiation with visible light initiates the reverse reaction. 相似文献
7.
H Wajahat A Riaz 《理论物理通讯》2020,72(7):75001-7
We present a matrix coupled dispersionless(CD) system. A Lax pair for the matrix CD system is proposed and Darboux transformation is constructed on the solutions of the matrix CD system and the associated Lax pair. We express an N soliton formula for the solutions of the matrix CD system in terms of quasideterminants. By using properties of the quasideterminants, we obtain some exact solutions, including bright and dark-type solitons, rogue wave and breather solutions of the matrix CD system. Furthermore, it has been shown that the solutions of the matrix CD system are expressed in terms of solutions to the usual CD system, sine-Gordon equation and Maxwell-Bloch system. 相似文献
8.
提出了一款具有高隔离度的双陷波超宽带多入多出(UWB MIMO)天线。该天线由两个相同的半切超宽带天线单元倒置构成。通过在天线底板刻蚀栅栏型缺陷地解耦结构,使该MIMO天线的隔离度提高至25 dB。此外,在天线半圆形辐射贴片上刻蚀两个方向相反的"L"型缝隙,实现了双陷波的功能,分别抑制了802.16无线城域网WiMAX(3.2~3.7 GHz)和WLAN(5.15~5.85 GHz)信号对天线系统的干扰。实验结果表明,该天线在3~11 GHz工作带宽内的隔离度大于25 dB,包络相关系数(ECC)小于0.004;第一个陷波频段为3.0~3.7 GHz,第二个陷波频段为5.1~5.85 GHz,有效抑制了WiMAX和WLAN的信号干扰。 相似文献
9.
Dr. Sanil E. Sivan Minhui Lee Su-Kyung Lee Dr. Ji Woong Yoon Dr. Kiwoong Kim Dr. Do-Young Hong Kyung-Ho Cho Dr. U-Hwang Lee Prof. Jong-San Chang Dr. Jaehoon Jung Prof. Young Kyu Hwang 《Chemistry (Weinheim an der Bergstrasse, Germany)》2019,25(56):12889-12894
Oxo-bridged trimeric chromium acetate clusters [Cr3O(OOCCH3)6(H2O)3]NO3 have been encapsulated for the first time in the mesoporous cages of the chromium terephthalate MIL-101(Cr). The isolated clusters in MIL-101(Cr) have increased affinity towards propylene compared to propane, due to generation of a new kind of pocket-based propylene-binding site, as supported by DFT calculations. 相似文献
10.
Qianqian Gao Dr. Yumeng Zhao Kangli Xu Dr. Chao Zhang Dr. Qian Ma Liqing Qi Dandan Chao Tingting Zheng Linlin Yang Dr. Yanyan Miao Prof. Da Han 《Angewandte Chemie (Weinheim an der Bergstrasse, Germany)》2020,132(52):23770-23774
A single-step method for isolation of specific cells based on multiple surface markers will have unique advantages because of its scalability, efficacy, and mildness. Herein, we developed multi-aptamer-mediated proximity ligation method on live cell membranes that leverages a multi-receptor co-recognition design for enhanced specificity, as well as a robust in situ signal amplification design for improved sensitivity of cell isolation. We demonstrated the promising efficacy of our method on differentiating tumor cell subtypes in both cell mixtures and clinical samples. Owing to its simple and fast operation with excellent cell isolation sensitivity and accuracy, this approach will have broad applications in biological science, biomedical engineering, and personalized medicine. 相似文献