基于神经氨酸酶结构和反应机制研制的抗流感药物
发布时间：2018-11-08 10:02
【摘要】：新药创制是复杂的智力活动,涉及科学研究、技术创造、产品开发和医疗效果等多维科技活动。每个药物都有自身的研发轨迹,而构建化学结构是最重要的环节,因为它涵盖了药效、药代、安全性和生物药剂学等性质。本栏目以药物化学视角,对有代表性的药物的成功构建,加以剖析和解读。根据酶-底物复合物的结构和酶催化反应的过渡态结构特征设计合成的扎那米韦、奥司他韦和帕拉米韦,是理性药物设计中具有教科书式的范例。它们都是从流感神经氨酸苷酶——唾液酸晶体结构提供的信息出发,各自采用了不同的策略和方法,经历了不同的研发路径,在同一年内获得了成功。三个药物的结构骨架不同,而药效团的分布非常相似,在运用结构生物学、计算化学和药物化学方法和技术的结合上,给人们许多启示。
[Abstract]:New drug creation is a complex intellectual activity involving multi-dimensional scientific and technological activities such as scientific research, technological creation, product development and medical effects. Each drug has its own R & D track, and the construction of chemical structures is the most important step because it covers pharmacodynamics, pharmacology, safety and biopharmaceutical properties. This column analyzes and interprets the successful construction of representative drugs from the perspective of drug chemistry. Zanamivir oseltamivir and paramivir which are designed and synthesized according to the structure of enzyme substrate complex and the transition structure of enzymatic catalytic reaction are textbook examples in rational drug design. Starting from the information provided by the crystal structure of influenza neuraminidase-sialic acid, each of them has adopted different strategies and methods, experienced different research and development paths, and achieved success in the same year. The structural skeletons of the three drugs are different, and the distribution of pharmacophore is very similar. The combination of structural biology, computational chemistry and pharmacochemical methods and techniques has given us a lot of enlightenment.
【作者单位】： 中国医学科学院药物研究所;
【分类号】：R914
本文编号：2318140
[Abstract]:New drug creation is a complex intellectual activity involving multi-dimensional scientific and technological activities such as scientific research, technological creation, product development and medical effects. Each drug has its own R & D track, and the construction of chemical structures is the most important step because it covers pharmacodynamics, pharmacology, safety and biopharmaceutical properties. This column analyzes and interprets the successful construction of representative drugs from the perspective of drug chemistry. Zanamivir oseltamivir and paramivir which are designed and synthesized according to the structure of enzyme substrate complex and the transition structure of enzymatic catalytic reaction are textbook examples in rational drug design. Starting from the information provided by the crystal structure of influenza neuraminidase-sialic acid, each of them has adopted different strategies and methods, experienced different research and development paths, and achieved success in the same year. The structural skeletons of the three drugs are different, and the distribution of pharmacophore is very similar. The combination of structural biology, computational chemistry and pharmacochemical methods and techniques has given us a lot of enlightenment.
【作者单位】： 中国医学科学院药物研究所;
【分类号】：R914
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