Theoretische Untersuchungen an biomimetischen Modellen der Galactose Oxidase

半乳糖氧化酶仿生模型的理论研究

• 批准号: 5178038
• 负责人: Professor Dr. Georg Hohlneicher (†)
• 金额: --
• 依托单位: Institut für Physikalische Chemie
• 依托单位国家: 德国
• 项目类别: Priority Programmes
• 财政年份: 1999
• 资助国家: 德国
• 起止时间: 1998-12-31 至 2001-12-31
• 项目状态: 已结题
• 来源: https://gepris.dfg.de/gepris/projekt/5178038?language=en
• 关键词: Theoretische; Untersuchungen; biomimetischen; Modellen; der

The subject of the proposed research project is the theoretical investigation of biomimetic models of the enzyme galactose oxidase using ab-initio methods. The creation and experimental investigation of fairly small systems that mimic the reaction center of a natural enzyme are currently highly active fields in Bioorganic and Bioinorganic Chemistry. The idea behind these efforts is a better understanding of the specificity and selectivity of natural enzymes but also the design of new catalysts for chemical synthesis. The goal of the proposed project is to assist the design and improvement of such model catalysts with theoretical investigations which are capable of screening the geometric and electronic structure of possible variants much easier than experiments which depend on multistep syntheses.

拟建研究项目的主题是利用ab-initio方法对半乳糖氧化酶的仿生模型进行理论研究。模拟天然酶反应中心的相当小的系统的创建和实验研究是目前生物有机化学和生物无机化学中非常活跃的领域。这些努力背后的想法是更好地理解天然酶的特异性和选择性，以及设计用于化学合成的新催化剂。该计划的目标是通过理论研究来帮助设计和改进这种模型催化剂，这种模型催化剂能够比依赖多步合成的实验更容易地筛选可能的变体的几何和电子结构。