离子液体-酶活性构效关系研究

项目名称： 离子液体-酶活性构效关系研究

项目编号： No.21307028

项目类型： 青年科学基金项目

立项/批准年度： 2014

项目学科： 环境科学、安全科学

项目作者： 范云场

作者单位： 河南理工大学

项目金额： 25万元

中文摘要： 离子液体作为绿色溶剂在化学、化工各个领域得到广泛的应用。然而其潜在毒性、生物积累性等方面的问题直到最近几年才引起人们的重视，其毒理数据十分缺乏。目前，离子液体毒性研究以生物个体毒性实验为主，分子水平的毒性实验及构效关系研究鲜有报道。酶是广泛用于检测、评估化学物质毒性的生物标志物；光谱法（荧光、紫外可见、圆二色光谱）是从分子水平上研究酶-化学物质相互作用的有力工具。本项目拟通过制备系列离子液体，以蛋白酶为标志物，研究酶活性和离子液体结构之间的关系（构效关系）；从分子水平上阐述离子液体-酶相互作用过程中的驱动力、亲和性及酶结构的变化；建立毒性预测模型，为离子液体毒性评估、预测提供理论参考和基础数据。

中文关键词： 离子液体；酶；相互作用；氢键作用；疏水作用

英文摘要： Ionic liquids (ILs), regarded as green solvents, have been widely used in all fields of chemistry and chemical engineering. However, only in recent years their potential toxicity and bioaccumulation attracted people's attention and their toxicity data are also very poor. At present, the investigations on the toxicity of ILs are mainly focused on individual biological toxicity experiments and few studies concern structure-activity relationship and toxic tests at the molecular level. Enzymes are the widely used biomarkers for monitoring of the toxicity of chenmicals. Spectrometry (fluorescence, Uv/vis and circular dichroism) is a powerful tool for investigating the interaction of enzyme with chemicals at the molecular level. This program attempts to prepare a series of ILs, using enzyme as marker, to study the relationship of the enzymatic activity and the structure of ILs (structure-activity relationship), to discover the driving forces, affinity and conformational changes of enzyme at the molecular level during the interaction process,to set up toxicity prediction model and to provide theoretical reference and basic data for estimating and predicting the toxicity of ILs.

英文关键词： Ionic liquids；Enzyme；Interaction；Hydrogen-bonding interaction；Hydrophobic interaction