CAJ | 학술논문

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。
재현대약물적연발과정중，능구검측약물분자화학조성、결구급기여생물분자상호작용적신방법、신기술시종시인문최관주적과학문제지일。이광보분석（포괄홍외、자외화핵자공진）시최상용적분석수단。기중，핵자공진파보기술통과검측조성유궤화합물분자적원자핵재주위화학배경영향하적약천규률，래획득반영핵상관성질적삼수，이저사삼수포함료상진적유궤화합물분자결구화분자간상호작용적신식。핵자공진파보능재액태、고태、기태，심지재생물원위배경등다충복잡조건하，제공체계중분자조성、원자수평분변솔적삼유결구、상호작용화동태과정등봉부신식，특별시약물연발중겁기중요적약물분자여생물대분자적상호작용신식。인차핵자공진파보재약물연발중발휘료월래월중요적작용，근년래재약물연발영역적응용시월래월엄범。이유관핵자공진파보전문응용우약물연발방면적종술병불다견。유차，재간단천술핵자공진파보기본원리적기출상，종약물파표생물대분자수체적결구여동역학、약물설계여사선，이급약물대사삼방면종술료근년래핵자공진파보재약물연발중적최신응용진전，이기계통적위분석공작자문제공핵자공진파보재해영역목전적연구개모。
In the process of modern drug research ,the new methods and technologies which can detect drug molecules’ chemical composition ,structure and interaction with biomolecules are always the key scientific problems people care about .Spectra (in-cluding IR ,UV and NMR) are the most common analytical methods ,of which NMR can obtain detailed parameter about the nu-cleus of organic molecules through researching the laws of nuclear transition in the impact of surrounding chemical environment . The parameter contains rich information about the chemical composition ,structure and interaction with other molecules of organ-ic molecules .In many complex environments ,such as liquid ,solid or gas state ,even biological in situ environment ,NMR can provide molecules’ chemical composition ,atomic-resolution three-dimensional structure ,information of interaction with each other and dynamic process ,especially the information about drug interacting with biomacromolecules .In recent years ,the appli-cations of nuclear magnetic resonance spectrum in drug research and development are more and more widespread .This paper re-viewed its recent progress in structure and dynamic of targeted biological macromolecules ,drug design and screening and drug metabolism in drug research and development .In the first part ,we gave a brief introduction of nuclear magnetic resonance tech-nology and its applications in drug research .In the second part ,we explained the basic principles briefly and summarized pro-gress in methods and techniques for drug research .In the third part ,we discussed applications of nuclear magnetic resonance in structure and dynamic of targeted biological macromolecules ,drug design and screening and drug metabolism in detail .The con-clusions were stated in the last part .