药物设计与同步辐射
张海涛,沈 旭*
中国科学院上海药物研究所,上海 201203

摘 要:摘 要:当代药物设计是通过阐明药物与靶标相互作用的机理,对药物先导化合物进行改造和优化。利用晶体X射线衍射的方法获得药物与靶标复合物的结构,为药物设计提供最直接有力的依据。同步辐射凭借其高强度、低发散性、波长可调谐性等得天独厚的优势,实现了对药物与靶标复合物结构的高通量测定,大大提高了基于结构的药物设计效率。
关键词:药物设计;晶体X射线衍射;同步辐射

Drug design and synchrotron
ZHANG Hai-tao, SHEN Xu*
Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai 201203, China

Abstract: Abstract: Drug design is based on the mechanisms of the drug and target interaction to achieve optimization of the leads. The structures of drug-target complexes obtained by X-ray crystallography provide direct and convictive evidences for drug design. Synchrotron has the advantages of high intensity, low divergence and tunability, so that it can be used for high-throughput data collection of complex structures, thus improving the efficiency of structure-based drug design.
Key words: drug design; X-ray crystallography; synchrotron

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