核磁共振波谱在药物研发中的应用进展

发布时间：2018-05-27 05:40

本文选题：核磁共振波谱 + 大分子结构　；参考：《光谱学与光谱分析》2015年01期

【摘要】：在现代药物的研发过程中,能够检测药物分子化学组成、结构及其与生物分子相互作用的新方法、新技术始终是人们最关注的科学问题之一。而光谱分析(包括红外、紫外和核磁共振)是最常用的分析手段。其中,核磁共振波谱技术通过检测组成有机化合物分子的原子核在周围化学环境影响下的跃迁规律,来获得反映核相关性质的参数,而这些参数包含了详尽的有机化合物分子结构和分子间相互作用的信息。核磁共振波谱能在液态、固态、气态,甚至在生物原位环境等多种复杂条件下,提供体系中分子组成、原子水平分辨率的三维结构、相互作用和动态过程等丰富信息,特别是药物研发中极其重要的药物分子与生物大分子的相互作用信息。因此核磁共振波谱在药物研发中发挥了越来越重要的作用,近年来在药物研发领域的应用是越来越广泛。而有关核磁共振波谱专门应用于药物研发方面的综述并不多见。由此,在简单阐述核磁共振波谱基本原理的基础上,从药物靶标生物大分子受体的结构与动力学、药物设计与筛选,以及药物代谢三方面综述了近年来核磁共振波谱在药物研发中的最新应用进展,以期系统的为分析工作者们提供核磁共振波谱在该领域目前的研究概貌。
[Abstract]:In the research and development of modern drugs, new methods for detecting the molecular chemical composition, structure and interaction with biomolecules have always been one of the most concerned scientific problems. Spectral analysis (including IR, UV and NMR) is the most commonly used analytical method. Nuclear Magnetic Resonance Spectroscopy (NMR) is used to detect the transition laws of the nuclei of organic compounds under the influence of the surrounding chemical environment to obtain the parameters reflecting the properties of the nuclei. These parameters contain detailed information about the molecular structure and intermolecular interactions of organic compounds. Nuclear magnetic resonance spectroscopy can provide rich information on molecular composition, atomic horizontal resolution, interaction and dynamic process in liquid, solid, gaseous and even in situ biologic environment. Especially, the interaction information between drug molecules and biomolecules is very important in drug research and development. Nuclear magnetic resonance spectroscopy (NMR) plays a more and more important role in drug research and development, and its application in drug research and development is becoming more and more extensive in recent years. However, the application of nuclear magnetic resonance spectroscopy in drug research and development is rare. Therefore, on the basis of explaining the basic principle of nuclear magnetic resonance spectroscopy, the structure and kinetics of biomacromolecule receptors, the design and screening of drugs were introduced. The latest application of nuclear magnetic resonance spectroscopy in drug research and development in recent years was reviewed in order to provide the researchers with a general picture of nuclear magnetic resonance spectroscopy in this field.
【作者单位】：重庆大学生物流变科学与技术教育部重点实验室生物工程学院;
【基金】：国家自然科学基金项目(11172340) 高等学校博士学科点专项科研基金项目(新教师类,20120191120032) 重庆市自然科学基金计划一般项目(cstc2012jjA0588) 中央高校基本科研业务费项目(CQDXWL-2012-123及CQDXWL-2013-028)资助
【分类号】：R917;O657.2

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