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排序方式: 共有4947条查询结果,搜索用时 400 毫秒
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.
Clemens G. Raab Georg Regensburger Jamal Hossein Poor 《Journal of Pure and Applied Algebra》2021,225(5):106564
A formal computation proving a new operator identity from known ones is, in principle, restricted by domains and codomains of linear operators involved, since not any two operators can be added or composed. Algebraically, identities can be modelled by noncommutative polynomials and such a formal computation proves that the polynomial corresponding to the new identity lies in the ideal generated by the polynomials corresponding to the known identities. In order to prove an operator identity, however, just proving membership of the polynomial in the ideal is not enough, since the ring of noncommutative polynomials ignores domains and codomains. We show that it suffices to additionally verify compatibility of this polynomial and of the generators of the ideal with the labelled quiver that encodes which polynomials can be realized as linear operators. Then, for every consistent representation of such a quiver in a linear category, there exists a computation in the category that proves the corresponding instance of the identity. Moreover, by assigning the same label to several edges of the quiver, the algebraic framework developed allows to model different versions of an operator by the same indeterminate in the noncommutative polynomials. 相似文献
3.
Sze-Jack Tan Chee-Keong Lee Chee-Yuen Gan Olusegun Abayomi Olalere 《Molecules (Basel, Switzerland)》2021,26(7)
In this study, the combination of parameters required for optimal extraction of anti-oxidative components from the Chinese lotus (CLR) and Malaysian lotus (MLR) roots were carefully investigated. Box–Behnken design was employed to optimize the pH (X1: 2–3), extraction time (X2: 0.5–1.5 h) and solvent-to-sample ratio (X3: 20–40 mL/g) to obtain a high flavonoid yield with high % DPPHsc free radical scavenging and Ferric-reducing power assay (FRAP). The analysis of variance clearly showed the significant contribution of quadratic model for all responses. The optimal conditions for both Chinese lotus (CLR) and Malaysian lotus (MLR) roots were obtained as: CLR: X1 = 2.5; X2 = 0.5 h; X3 = 40 mL/g; MLR: X1 = 2.4; X2 = 0.5 h; X3 = 40 mL/g. These optimum conditions gave (a) Total flavonoid content (TFC) of 0.599 mg PCE/g sample and 0.549 mg PCE/g sample, respectively; (b) % DPPHsc of 48.36% and 29.11%, respectively; (c) FRAP value of 2.07 mM FeSO4 and 1.89 mM FeSO4, respectively. A close agreement between predicted and experimental values was found. The result obtained succinctly revealed that the Chinese lotus exhibited higher antioxidant and total flavonoid content when compared with the Malaysia lotus root at optimum extraction condition. 相似文献
4.
矩阵方程A^TXB=C的正定和半正定解 总被引:5,自引:1,他引:4
何楚宁 《高校应用数学学报(A辑)》1997,(4):475-480
给出了矩阵方程A^TXB=C在正定和半正定矩阵类中有解的充要条件及解的一般表达式。 相似文献
5.
有势场逆问题的边界元法 总被引:5,自引:0,他引:5
本文给出了位势方程逆问题的一种最小二乘边界元解法。控制方程为Laplace方程,但一部分边界上未给出任何边值,而只在某些内点上给出了势函值。这一问题在数学上属不适定问题,但在一定条件下存在唯一解。本文同时给出了一种估计解的可靠性的方法。数值试验表明,这类逆问题采用边界元法是非常有效的。 相似文献
6.
Elena Kardash-Strochkova Yakov I. Tur’yan I. Kuselman Naphtali Brodsky 《Accreditation and quality assurance》2002,7(6):250-254
The results of two interlaboratory comparisons of acid number determinations in used motor oils are discussed. It is shown
that the comparability of the measurement results is not as good as that required by known standards for petroleum products.
The problem is motor oil contaminants which accumulated during use, and which are the source of a matrix effect in the acid
number determination. The standard methods’ drawbacks are analyzed and some improvements are proposed. Repeatability and accuracy
of the improved methods are evaluated.
Received: 11 December 2001 Accepted: 15 February 2002 相似文献
7.
Charles J. Colbourn Sosina S. Martirosyan Gary L. Mullen Dennis Shasha George B. Sherwood Joseph L. Yucas 《组合设计杂志》2006,14(2):124-138
A covering array CA(N;t,k, v is an N × k array such that every N × t subarray contains all t‐tuples from v symbols at least once, where t is the strength of the array. Covering arrays are used to generate software test suites to cover all t‐sets of component interactions. The particular case when t = 2 (pairwise coverage) has been extensively studied, both to develop combinatorial constructions and to provide effective algorithmic search techniques. In this paper, a simple “cut‐and‐paste” construction is extended to covering arrays in which different columns (factors) admit different numbers of symbols (values); in the process an improved recursive construction for covering arrays with t = 2 is derived. © 2005 Wiley Periodicals, Inc. J Combin Designs 14: 124–138, 2006 相似文献
8.
9.
为了准确计算出镀膜过程中每层膜的折射率,介绍了实时监控过程中确定膜层折射率的2种方法:一种是由实测的透射比光谱直接反算出膜层的折射率;另一种是用最小二乘法的优化算法实时拟合折射率。试验结果表明:在线反算适合单点监控,所得折射率误差小于2%。然而在实际镀膜过程中,由于宽带内膜层参数误差较大,一般大于25%。为此,采用最小二乘法拟合,即在整个宽光谱范围内采集每个波长点的信息,所得结果误差很小,一般都在2%~5%之间,有时可达到10%,在很大程度上提高了实际镀膜时膜厚监控的精度。 相似文献
10.