A Supramolecular Coordination Cluster as a Functional Monoterpene Synthase Mimic.

作为功​​能性单萜合酶模拟物的超分子配位簇。

基本信息

项目摘要

DESCRIPTION (provided by applicant): Terpene synthases catalyze cascading 1,5-diene, or isoprene, cyclizations to create the carbocyclic backbone of terpene natural products. These enzymes promote cyclization by controlling the conformation and local electrostatic environment of a carbenium ion. The monoterpene synthases catalyze the simplest isoprene cyclizations to form the monoterpenoid class of natural products in which limonene synthase catalyzes the formation of the p-menthane subgroup from geranyl diphosphate. The negatively charged, water-soluble, tetrahedral coordination complexes of the Raymond group are proposed as a limonene synthase mimic that will catalyze the cyclization of geranyl diphosphate derivatives to p-menthane monoterpenoids. Development of the system will provide a relatively simple model for the intracavity environment of limonene synthase and yield a physical description of the interaction between the substrate and cavity, The coordination cage complexes have catalyzed transformations that required either conformational or environmental control over encapsulated intermediates. Therefore, the complexes are proposed to catalyze a biomimetic isoprene cyclization that requires both aspects of reaction control. Specifically, the tetrahedral coordination complex will catalyze the cyclization of nerol or linalool derived substrates as surrogates for geranyl diphosphate. Catalysis should occur within the negatively-charged cavity of the complex driven by hydrophobic encapsulation. Binding will organize substrate conformation, while the negatively charged cavity stabilizes the cationic cyclization intermediates. Encapsulation of the carbenium ion will inhibit rearrangements to monoterpenoids outside of the p-menthane family. This strategy will provide a proof of principle for controlling a carbenium ion by supramolecular encapsulation, serve as the first example of a functional terpene synthase mimic, and probe simple encapsulation as an enzymatic strategy for catalysis. PUBLIC HEALTH RELEVANCE Mimicking enzyme function is an important task for not only validating biochemical models of action, but developing new concepts of small molecule catalysis. A tetrahedral, coordination cage complex is proposed to mimic the function of a class of enzymes known as the monoterpene synthases. Binding of acyclic terpene precursors within the complex's negatively-charged cavity will catalyze their cationic cyclization to the p-menthane family of monoterpenoids in a biomimetic fashion.
描述(由申请人提供):萜烯合酶催化级联 1,5-二烯或异戊二烯环化以产生萜烯天然产物的碳环主链。这些酶通过控制碳正离子的构象和局部静电环境来促进环化。单萜合酶催化最简单的异戊二烯环化以形成单萜类天然产物,其中柠檬烯合酶催化从香叶基二磷酸形成对薄荷烷亚组。雷蒙德基团的带负电荷、水溶性、四面体配位络合物被提议作为柠檬烯合酶模拟物,其将催化香叶基二磷酸衍生物环化为对薄荷烷单萜。该系统的开发将为柠檬烯合酶的腔内环境提供一个相对简单的模型,并产生底物和腔之间相互作用的物理描述。配位笼复合物催化了需要对封装中间体进行构象或环境控制的转化。因此,建议该配合物催化仿生异戊二烯环化,这需要反应控制的两个方面。具体而言,四面体配位络合物将催化橙花醇或芳樟醇衍生的底物作为香叶基二磷酸的替代物的环化。催化作用应发生在由疏水性封装驱动的复合物的带负电荷的空腔内。结合将组织底物构象,而带负电荷的空腔稳定阳离子环化中间体。碳正离子的封装将抑制对薄荷烷家族之外的单萜类化合物的重排。该策略将为通过超分子封装控制碳正离子提供原理证明,作为功能性萜烯合酶模拟物的第一个例子,并探索简单封装作为催化酶策略。公共健康相关性 模拟酶的功能不仅是验证作用的生化模型的重要任务,而且是开发小分子催化新概念的重要任务。提出了一种四面体配位笼复合物来模拟一类称为单萜合酶的酶的功能。无环萜烯前体在复合物带负电荷的空腔内的结合将以仿生方式催化其阳离子环化为单萜的对薄荷烷家族。

项目成果

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Jason Michael Nichols其他文献

Jason Michael Nichols的其他文献

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{{ truncateString('Jason Michael Nichols', 18)}}的其他基金

A Supramolecular Coordination Cluster as a Functional Monoterpene Synthase Mimic.
作为功​​能性单萜合酶模拟物的超分子配位簇。
  • 批准号:
    7540725
  • 财政年份:
    2008
  • 资助金额:
    $ 4.72万
  • 项目类别:
A Supramolecular Coordination Cluster as a Functional Monoterpene Synthase Mimic.
作为功​​能性单萜合酶模拟物的超分子配位簇。
  • 批准号:
    7904973
  • 财政年份:
    2008
  • 资助金额:
    $ 4.72万
  • 项目类别:

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