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21.
Dr. Jelena Melesina Conrad V. Simoben Lucas Praetorius Emre F. Bülbül Dr. Dina Robaa Prof. Dr. Wolfgang Sippl 《ChemMedChem》2021,16(9):1336-1359
This review classifies drug-design strategies successfully implemented in the development of histone deacetylase (HDAC) inhibitors, which have many applications including cancer treatment. Our focus is on especially demanded selective HDAC inhibitors and their structure-activity relationships in relation to corresponding protein structures. The main part of the paper is divided into six subsections each narrating how optimization of one of six structural features can influence inhibitor selectivity. It starts with the impact of the zinc binding group on selectivity, continues with the optimization of the linker placed in the substrate binding tunnel as well as the adjustment of the cap group interacting with the surface of the protein, and ends with the addition of groups targeting class-specific sub-pockets: the side-pocket-, lower-pocket- and foot-pocket-targeting groups. The review is rounded off with a conclusion and an outlook on the future of HDAC inhibitor design. 相似文献
22.
目的 基于妈祖文化的视角,探究妈祖文化与表情符号设计融合的可能性,打造表情文化产业链,为表情符号的设计开发提供更多的机遇,推动了妈祖文化的对外传播.方法 以妈祖文化为切入点,分析表情符号设计与妈祖文化跨界融合发展的优势.同时,借助具体的案例来阐述两者结合所产生的积极意义,表明巧妙应用妈祖文化的可行性.结论 妈祖文化的融入为表情符号的发展增添了浓墨重彩的一笔,对于增强文化气息及开拓设计思路都发挥着重要作用,易于激发受众的情绪、记忆,引起受众情感和心理的共鸣,从而创造符合受众审美情趣和思维方式的设计作品.由此可见,深入把握两者的关联性,有助于催生新的文化产业形态、传承妈祖文化、开辟表情符号设计新路径. 相似文献
23.
Under the circumstance of perceptual consumption, it is still challenging to grasp consumer's emotions and demands due to the large search space, diversified preferences, and easy fatigue of consumers. To reduce user fatigue and enlarge search space, a novel method was presented to design and optimize the pattern of yarn-dyed plaid fabric using the isolation niche genetic algorithm and rough set theory. Each pattern was encoded as a chromosome based on the real number code. The population was initialized and evolved using INGA to maintain the diversity. The rough set theory was adopted as the fitness function of isolation niche genetic algorithm to extract the consumer's demands. After multiple evolutions, a large set of practical patterns of the yarn-dyed plaid fabric are obtained. Experiments were carried out by 24 testers of different ages and genders. The results prove that the proposed method based on the isolation niche genetic algorithm and rough set theory is feasible and effective, supplying references to the designer. 相似文献
24.
Dr. Christine Brotschi Dr. Martin H. Bolli Dr. John Gatfield Dr. Bibia Heidmann Dr. Francois Jenck Dr. Catherine Roch Dr. Thierry Sifferlen Dr. Alexander Treiber Dr. Jodi T. Williams Dr. Christoph Boss 《ChemMedChem》2020,15(5):430-448
The orexin system is responsible for regulating the sleep-wake cycle. Suvorexant, a dual orexin receptor antagonist (DORA) is approved by the FDA for the treatment of insomnia disorders. Herein, we report the optimization efforts toward a DORA, where our starting point was (5-methoxy-4-methyl-2-[1,2,3]triazol-2-yl-phenyl)-{(S)-2-[5-(2-trifluoromethoxy-phenyl)-[1,2,4]oxadiazol-3-yl]-pyrrolidin-1-yl}methanone ( 6 ), a compound which emerged from our in-house research program. Compound 6 was shown to be a potent, brain-penetrating DORA with in vivo efficacy similar to suvorexant in rats. However, shortcomings from low metabolic stability, high plasma protein binding (PPB), low brain free fraction (fu brain), and low aqueous solubility, were identified and hence, compound 6 was not an ideal candidate for further development. Our optimization efforts addressing the above-mentioned shortcomings resulted in the identification of (4-chloro-2-[1,2,3]triazol-2-yl-phenyl)-{(S)-2-methyl-2-[5-(2-trifluoromethoxy-phenyl)-4H-[1,2,4]triazol-3-yl]-pyrrolidin-1-yl}l-methanone ( 42 ), a DORA with improved in vivo efficacy compared to 6 . 相似文献
25.
Morpholine is a frequently used heterocycle in medicinal chemistry and a privileged structural component of bioactive molecules. This is mainly due to its contribution to a plethora of biological activities as well as to an improved pharmacokinetic profile of such bioactive molecules. The synthesis of morpholines is a subject of much study due to their biological and pharmacological importance, with the last such review being published in 2013. Here, an overview of the main approaches toward morpholine synthesis or functionalization is presented, emphasizing on novel work which has not been reviewed so far. This review is an update on synthetic strategies leading to easily accessible libraries of bioactives which are of interest for drug discovery projects. 相似文献
26.
为了有效提高渐变刚度钢板弹簧式轻型卡车的乘坐舒适性,根据弹簧受力与刚度和变形之间的关系,利用等频原理,建立了渐变刚度钢板弹簧力学特性解析计算模型,并利用钢板弹簧加载-卸载试验对所建立的模型的正确性进行了验证。基于1/2车辆行驶振动模型,利用MATLAB的Simulink工具箱,建立了考虑渐变刚度钢板弹簧力学特性的轻卡行驶振动仿真分析模型。最后,以人体振动舒适性最佳为目标,利用多岛遗传算法,建立了轻卡悬架系统阻尼参数仿真设计方法,并利用实车试验对所建立的轻卡悬架系统阻尼参数仿真设计方法的正确性进行了验证。上述研究为渐变刚度钢板弹簧式轻卡悬架系统参数的设计提供了有效参考。 相似文献
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经济新常态下,我国建筑行业得到快速发展。对于建筑工程来说,为节约成本,在"限额设计"思想指导下,必须开展精细化管理,从而提高项目投资的控制能力。然而,在项目建设过程中对于"限额设计"措施的利用水平并不高,不利于企业的可持续发展。因此,本文在分析"限额设计"措施的基础上,提出对建设项目投资的控制对策,希望能够对相关施工管理人员提供借鉴。 相似文献
30.
《等离子体科学和技术》2020,22(1):15402
Laminar plasma jet(LPJ) generated by laminar plasma torch(LPT) has a favorable temperature and velocity distribution. Thus, it is superior to the turbulent plasma jet in material processing.However, most of the reported LPTs usually operate at a relatively low output power with a relatively low arc voltage and thermal efficiency, which limits its capabilities. In this context, this paper attempts to design a new type of high-power LPT with a relatively low arc current and a high thermal efficiency. In the first section, the design principle of the main components is studied and discussed in detail, and a new high-power LPT is proposed. Then, the experimental characteristics of the proposed high-power LPT are examined. Experimental results reveal the following characteristics of the proposed LPT.(1) The max jet length of the proposed LPT reaches at 540 mm.(2) Its mean arc voltage is higher than 290 V when the LPT works with arc currents lower than 200 A, leading to an output power greater than 50 kW.(3) The mean thermal efficiency is higher than 50%. Lastly, the proposed LPT has been applied to spheroidize the aluminum oxide powers. The experiment results for the production of spherical powders show that the proposed LPT has a good characteristic for material processing. 相似文献