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Structural studies of Baeyer-Villiger monooxygenases

Baeyer-Villiger 单加氧酶的结构研究

基本信息

批准号：
183867-2011
负责人：
Berghuis, Albert
金额：
$ 2.19万
依托单位：
McGill University
依托单位国家：
加拿大
项目类别：
Discovery Grants Program - Individual
财政年份：
2011
资助国家：
加拿大
起止时间：
2011-01-01 至 2012-12-31
项目状态：
已结题

来源：
https://www.nserc-crsng.gc.ca/ase-oro/Details-Detailles_eng.asp?id=476438
关键词：
Structural studies Baeyer Villiger monooxygenases

项目摘要

Drugs are highly complex molecules that have very specific shapes. The pharmaceutical industry has been making these drugs using chemical reactions that frequently demand toxic solvents and invariably create substantial waste. To address these issues that have environmental and financial implications, "green-chemistry" alternatives have been explored. One such alternative, is the use of "biocatalysts", i.e. enzymes that catalyze chemical reactions without the use of toxic solvents and that do not create substantial waste. Specifically, much attention has focused on Baeyer-Villiger monooxygenases, which catalyze reactions that are often used in the fine-chemical industry and which avoid the use of chlorinated solvents and acids, while limiting the amount of waste product produced. We have recently determined what these enzymes look like, using a method known as X-ray diffraction. Also, we have begun to examine how the shape of these enzymes dictates the catalytic properties. Intriguingly, our initial studies have shown that the shape of the enzymes actually changes while they catalyze chemical reactions. We will continue to examine in atomic detail how Baeyer-Villiger monooxygenases catalyze chemical reactions, and how the changing shape facilitates this. We believe that with this information we will be able to optimize the enzymes for very specific tasks that are of benefit to the fine-chemical and specifically the pharmaceutical industry.

药物是高度复杂的分子，具有非常特定的形状。制药行业一直使用化学反应来制造这些药物，这些化学反应经常需要有毒溶剂，并且总是会产生大量废物。为了解决这些具有环境和财务影响的问题，人们探索了“绿色化学”替代方案。一种这样的替代方案是使用“生物催化剂”，即不使用有毒溶剂且不产生大量废物的情况下催化化学反应的酶。具体来说，人们的注意力集中在拜尔-维利格单加氧酶上，它催化精细化工行业中常用的反应，避免使用氯化溶剂和酸，同时限制产生的废物量。我们最近使用一种称为 X 射线衍射的方法确定了这些酶的外观。此外，我们已经开始研究这些酶的形状如何决定催化特性。有趣的是，我们的初步研究表明，酶的形状在催化化学反应时实际上发生了变化。我们将继续以原子细节研究拜尔-维利格单加氧酶如何催化化学反应，以及形状的变化如何促进化学反应。我们相信，利用这些信息，我们将能够针对非常具体的任务优化酶，这对精细化工，特别是制药行业有益。