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1.
Dr. Jie Zang Dr. Fei Ye Dr. Sara M. Ø. Solbak Dr. Lars J. Høj Prof. Mingjie Zhang Prof. Anders Bach 《ChemMedChem》2021,16(6):949-954
Inhibition of PSD-95 has emerged as a promising strategy for the treatment of ischemic stroke, as shown with peptide-based compounds that target the PDZ domains of PSD-95. In contrast, developing potent and drug-like small molecules against the PSD-95 PDZ domains has so far been unsuccessful. Here, we explore the druggability of the PSD-95 PDZ1-2 domain and use fragment screening to investigate if this protein is prone to binding small molecules. We screened 2500 fragments by fluorescence polarization (FP) and validated the hits by surface plasmon resonance (SPR), including an inhibition counter-test, and found four promising fragments. Three ligand efficient fragments were shown by 1H,15N HSQC NMR to bind in the small hydrophobic P0 pockets of PDZ1-2, and one of them underwent structure-activity relationship (SAR) studies. Overall, we demonstrate that fragment screening can successfully be applied to PDZ1-2 of PSD-95 and disclose novel fragments that can serve as starting points for optimization towards small-molecule PDZ domain inhibitors. 相似文献
2.
Viktoria M. S. Kjær Loukas Ieremias Dr. Viktorija Daugvilaite Dr. Michael Lückmann Prof. Thomas M. Frimurer Prof. Trond Ulven Prof. Mette M. Rosenkilde Dr. Jon Våbenø 《ChemMedChem》2021,16(17):2623-2627
The G protein-coupled receptor GPR183/EBI2, which is activated by oxysterols, is a therapeutic target for inflammatory and metabolic diseases where both antagonists and agonists are of potential interest. Using the piperazine diamide core of the known GPR183 antagonist (E)-3-(4-bromophenyl)-1-(4-(4-methoxybenzoyl)piperazin-1-yl)prop-2-en-1-one (NIBR189) as starting point, we identified and sourced 79 structurally related compounds that were commercially available. In vitro screening of this compound collection using a Ca2+ mobilization assay resulted in the identification of 10 compounds with agonist properties. To enable establishment of initial structure-activity relationship trends, these were supplemented with five in-house compounds, two of which were also shown to be GPR183 agonists. Taken together, our findings suggest that the agonist activity of this compound series is dictated by the substitution pattern of one of the two distal phenyl rings, which functions as a molecular efficacy-switch. 相似文献
3.
Marc De Doncker Chloé De Graeve Dr. Jorick Franceus Dr. Koen Beerens Prof. Vladimír Křen Dr. Helena Pelantová Dr. Ronny Vercauteren Prof. Dr. Tom Desmet 《Chembiochem : a European journal of chemical biology》2021,22(23):3319-3325
The substantial increase in DNA sequencing efforts has led to a rapid expansion of available sequences in glycoside hydrolase families. The ever-increasing sequence space presents considerable opportunities for the search for enzymes with novel functionalities. In this work, the sequence-function space of glycoside hydrolase family 94 (GH94) was explored in detail, using a combined approach of phylogenetic analysis and sequence similarity networks. The identification and experimental screening of unknown clusters led to the discovery of an enzyme from the soil bacterium Paenibacillus polymyxa that acts as a 4-O-β-d -glucosyl-d -galactose phosphorylase (GGalP), a specificity that has not been reported to date. Detailed characterization of GGalP revealed that its kinetic parameters were consistent with those of other known phosphorylases. Furthermore, the enzyme could be used for production of the rare disaccharides 4-O-β-d -glucosyl-d -galactose and 4-O-β-d -glucosyl-l -arabinose. Our current work highlights the power of rational sequence space exploration in the search for novel enzyme specificities, as well as the potential of phosphorylases for rare disaccharide synthesis. 相似文献
4.
开展智慧化阅读推广,紧跟时代步伐,有效提升读者多重阅读体验和满意度,增强智慧化阅读推广的价值,促进智慧化阅读推广服务的有效化、规范化、科学化、常态化、长期化发展,已成为当前阅读推广研究中一个重要的切入点。文章基于智慧化阅读研究,结合"新媒体"高新技术环境,提出智慧化阅读推广的内容分析、具体实施、环境构建、推广评估与效果、推广改进等几个方面组成的以读者为中心的核心服务体系。本文分析了智慧化阅读基本方面,以我校图书馆实际运用推广效果,智慧化阅读存在的优、劣势及相应的对策。 相似文献
5.
6.
Dr. Ala Jo Mingi Kim Dr. Jong In Kim Jaeyoung Ha Yoon Soo Hwang Hyunsung Nam Dr. Injae Hwang Dr. Jae Bum Kim Prof. Seung Bum Park 《ChemMedChem》2021,16(7):1104-1115
Obesity has become a pandemic that threatens the quality of life and discovering novel therapeutic agents that can reverse obesity and obesity-related metabolic disorders are necessary. Here, we aimed to identify new anti-obesity agents using a phenotype-based approach. We performed image-based high-content screening with a fluorogenic bioprobe (SF44), which visualizes cellular lipid droplets (LDs), to identify initial hit compounds. A structure-activity relationship study led us to yield a bioactive compound SB1501, which reduces cellular LDs in 3T3-L1 adipocytes without cytotoxicity. SB1501 induced the expression of gene products that regulate mitochondrial biogenesis and fatty acid oxidation in 3T3-L1 adipocytes. Daily treatment with SB1501 improved the metabolic states of db/db mice by reducing body fat mass, adipose tissue mass, food intake, and increasing glucose tolerance. The anti-obesity effect of SB1501 may result from perturbation of the PGC-1α–UCP1 regulatory axis in inguinal white adipose tissue and brown adipose tissue. These data suggest the therapeutic potential of SB1501 as an anti-obesity agent via modulating mitochondrial activities. 相似文献
7.
电路板在我们的日常生活中非常常见,这就使得印刷电路板的缺陷检测显得尤为重要。AOI作为新兴的检测PCB板缺陷的系统,在生产实际中正在被大家熟知并且应用。相较于传统的检测方式,AOI系统比较灵活,无论是在检测时间还是系统运算上,或者是对相关技术人员的要求相较于传统方式都比较有优势,本文就AOI系统在实际中的应用展开讨论,分析并且介绍了在实际应用中的具体细则。 相似文献
8.
根据水泥烧成热耗的组成,降低高温设备表面散热是降低水泥烧成热耗的重要途径之一,而减少高温窑炉墙壁的热传导可有效降低设备的表面散热。本文在介绍无机内保温涂层隔热原理的基础上,对保温涂层的应用效果进行了对比研究,通过在传统耐火隔热材料的基础上增加新型无机内保温涂层,可有效降低高温设备外表面温度,减少水泥生产中的散热损失,达到节能降耗的目的。 相似文献
9.
进入新发展阶段,中国水资源安全保障需要以“节水优先、空间均衡、系统治理、两手发力”治水思路为指导,厘清问题、研判趋势、优化对策,支撑新阶段水利高质量发展。本文在全面分析我国水资源安全保障存在的突出问题与面临形势基础上,阐述了新发展阶段中国水资源安全保障的基本思路与战略路径,从保证资源安全、构建国家水网、强化供水保障、建设美丽河湖、改善水环境质量等方面提出了战略对策和需要进一步回答的重大问题,以期为完善新发展阶段中国水资源安全保障战略,全面提高国家水资源安全保障能力提供有力支撑。 相似文献
10.
郑煤集团杨河煤业43采区樊寨副立井施工中需要穿过预计涌水量187 m3/h、厚57 m的砂岩含水层。针对第1回次采用普通水泥工作面预注浆、吸浆量少、升压快、效果差、达不到预期目的等不利情况,在后3回次采用大压力,白银水泥、超细水泥等新材料、单孔上下端正反同时注浆新工艺,采用压注清水、水玻璃,利用水玻璃的黏性,反复冲洗钻孔把细小裂隙中锈蚀颗粒带出,打开注浆通道,同时针对竖向裂隙多、横向裂隙不联系,加密钻孔布置,缩小注浆段高,取得了较好的注浆效果。 相似文献