【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。更多还原

【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.更多还原