NMR-based techniques in the hit identification and optimisation processes.

Pellecchia M; Becattini B; Crowell KJ; Fattorusso R; Forino M; Fragai M; Jung D; Mustelin T; Tautz L

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NMR-based techniques in the hit identification and optimisation processes.

机译：匹配识别和优化过程中基于NMR的技术。

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In this review, the use of general NMR spectroscopy techniques to detect ligand binding and to monitor enzyme kinetics and inhibition, which appear particularly useful in hit identification and validation, is reiterated. Furthermore, the use of NMR-based strategies for lead optimisations that are based on either iterative derivatisations of an initial core structure or on linking fragments that occupy adjacent pockets in the target's binding site will also be described. Several recent examples will be reported and the use of these techniques in cases when the three dimensional structure of the target protein is known will be discussed.

机译：在这篇综述中，重申了使用一般的NMR光谱技术来检测配体结合以及监测酶动力学和抑制作用的方法，这似乎在命中鉴定和验证中特别有用。此外，还将描述基于NMR的策略用于前导优化的方法，该方法基于初始核心结构的迭代衍生化或基于占据目标结合位点相邻口袋的连接片段。将报道几个最近的例子，并将讨论在已知靶蛋白的三维结构的情况下这些技术的使用。

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《Expert opinion on therapeutic targets》 |2004年第6期|共15页
作者
Pellecchia M; Becattini B; Crowell KJ; Fattorusso R; Forino M; Fragai M; Jung D; Mustelin T; Tautz L;
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正文语种 eng
中图分类药学;
关键词
Drug Design; Drug Evaluation; Preclinical; Nuclear Magnetic Resonance; Biomolecular; 药物设计; 核磁共振; 生物分子;

机译：Drug Design;Drug Evaluation;Preclinical;Nuclear Magnetic Resonance;Biomolecular;药物设计;核磁共振;生物分子;

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1. NMR-based techniques in the hit identification and optimisation processes. [J] . Pellecchia M, Becattini B, Crowell KJ, Expert opinion on therapeutic targets . 2004,第6期

机译：匹配识别和优化过程中基于NMR的技术。
2. Identification of electromechanical properties of piezoelectric structures through evolutionary optimisation techniques [J] . Montemurro M., Nasser H., Koutsawa Y., International Journal of Solids and Structures . 2012,第13期

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3. Identification of the mechanical behaviour of biopolymer composites using multistart optimisation technique [J] . Elhacen Brahim, Sofiane Guessasma, Abdellatif Imad, Materials & design . 2013,第octa期

机译：使用多起点优化技术鉴定生物聚合物复合材料的力学性能
4. The Optimisation of Thresholding Techniques for the Identification of Choroidal Neovascular Membranes in Exudative Age-Related Macular Degeneration [C] . Brankin, E., McCuIlagh, . 2006

机译：渗出性年龄相关性黄斑变性中脉络膜新生血管膜的阈值识别技术的优化
5. Identification du modele d'un avion aeroelastique a l'aide d'une technique d'optimisation non-lineaire. [D] . Boughalem, Mhamed. 2001

机译：使用非线性优化技术识别气动弹性平面的模型。
6. NMR-based Metabolomic Techniques Identify the Toxicity of Emodin in HepG2 Cells [O] . Chang Chen, Jian Gao, Tie-Shan Wang, -1

机译：基于核磁共振的代谢组学技术鉴定大黄素在HepG2细胞中的毒性
7. Target Immobilization as a Strategy for NMR-Based Fragment Screening: Comparison of TINS, STD, and SPR for Fragment Hit Identification [O] . Kobayashi, M., Retra, K., Figaroa, F., 2010

机译：目标固定作为基于NMR的片段筛选策略：比较TINS，STD和SPR进行片段命中鉴定
8. HIT method: A hazard identification technique. [R] . Howard, H. H., Faust, C. L. 1990

机译：HIT方法：危险识别技术。

NMR-based techniques in the hit identification and optimisation processes.

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