定量结构-活性/性质相关研究及其在食品领域的应用  

Quantitative structure-activity/property relationship approach and its application in food research

作　　者：周如金[1] 张庆[1] 邱松山[1] 黄敏[1] 

机构地区：[1]广东石油化工学院化工与环境工程学院,茂名525000

出　　处：《中国食品添加剂》2011年第4期173-178,共6页China Food Additives

基　　金：广东省教育部产学研结合项目(2009B090300134);广东省自然科学基金项目(9152500002000015);广东省教育厅自然科学研究项目(04J013);广东石油化工学院科学研究资助项目

摘　　要：定量结构-活性/性质相关研究(Quantitative Structure-Activity/Property Relationship,QSAR/QSPR)描述化合物分子结构与生物活性及理化性质之间的因果关系。通过QSAR/QSPR研究,不仅可以发现并确定对化合物活性/性质起关键影响作用的化合物结构因素,有效指导高效、低毒新型化合物的合成,而且可以对进入环境的数以千万计化学物质的毒性和生物效应的评价提供一个经济、简便的方法。本文概述了定量结构-活性/性质相关原理及其研究方法,从食品抗氧化剂、食品防腐剂、食品风味成分和食品成分安全性评价等方面阐述了定量结构-活性/性质相关研究在食品领域的应用现状,并从推动食品向绿色、安全、营养方向发展,展望了QSAR/QSPR在食品成分的毒性及其致毒机理研究、食用化学品安全性评价以及有效指导新型、低毒食用化学品的开发等方面在食品领域的应用前景。Quantitative structure-activity/ property relationship（QSAR/QSRR）is an important method to analysis the correlation between structure of molecules and its bioactivity or physical-chemical property.QSAR/QSPR can not only determine the structure which is a key role in activity,property and synthesis of organic compound,but it also provides an economic and brief evaluation of toxicity and the biological effect of hundreds of thousands of compounds in the environment.The principle and research methods of QSAR/QSPR as well as its application situation in the field of food research,such as food antioxidants,food preservatives,food flavoring and food safety evaluation were reviewed.Then the possible applications in food toxicity and its mechanisms,food chemicals safety evaluation,as well as guiding the development of new,safe food chemicals were also prospected.

关 键 词：定量结构-活性/性质相关 食品成分 食品安全 应用 

分 类 号：O625[理学—有机化学]