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最近25年,我们可以比较准确地观察生物大分子的结构,而且能够选择一个专门的大分子靶进行新药设计。现在药物设计的靶酶,不但包括血红蛋白、二氢叶酸还原酶(DHFR)和血管紧张素转化酶(ACE),还包括流感病毒血球凝集素糖蛋白、碳酸酐酶、肾素、磷脂酶A_2和β-内酰胺酶。 X射线结晶学是测定结构的主要方法,它的第一手资料可用于计算结晶中分子的电子密度。这种密度可确定原子的位置。它除了提供键长、键角和蛋白质中氨基酸顺序等结构资料反映大分子构象外,还可推断蛋白
In the recent 25 years, we can observe the structure of biological macromolecules more accurately, and we can select a special macromolecule target to design new drugs. Currently, the target enzymes for drug design include not only hemoglobin, dihydrofolate reductase (DHFR) and angiotensin converting enzyme (ACE), but also influenza virus hemagglutinin glycoprotein, carbonic anhydrase, renin, β-lactamase. X-ray crystallography is the primary method of determining structure, and its first-hand information can be used to calculate the electron density of molecules in the crystal. This density determines the position of the atom. In addition to providing key length, bond angle and protein amino acid sequence and other structural information to reflect the conformation of macromolecules, but also infer that protein