使用本征值方法研究抗氧化剂的构效关系  

Studies on Relationship Between Structure and Antioxidant ActivityUsing Eigen Value Method

作　　者：孔德信[1] 江涛[1] 阎作伟[1] 管华诗[1] 

机构地区：[1]中国海洋大学海洋药物与食品研究所,青岛266003

出　　处：《高等学校化学学报》2004年第4期713-716,共4页Chemical Journal of Chinese Universities

基　　金：国家自然科学基金 (批准号 :2 0 3 710 43 )资助

摘　　要：利用本征值 ( EVA)方法对一组分子多样性较大的酚类或苯胺类抗氧化剂进行了理论研究 ,在未采用任何实验数据的情况下 ,研究结果接近于文献报道的 QSAR模型 ,表明 EVA方法是研究抗氧化剂抗氧化活性构效关系的良好工具 .Antioxidants are of great interest because of their involvement in important biological and industrial process. It′s meaningful to study the quantative structure-activity relationship (QSAR) and design novel, efficient, low-toxicity antioxidant. In this article, using eigen values (EVA) method, the QSAR of a group of antioxidants was firstly studied. Without any experimental parameters, we got a QSAR model that is as good as the one reported earlier. Moreover, it′s the first time to use EVA method to study the relationship between the structure and antioxidant activity. And also we believe that EVA will be an efficient approach to study the relationship of QSAR of antioxidants.

关 键 词：抗氧化剂 定量构效关系 本征值方法 QSAR EVA方法 药物 

分 类 号：R977.9[医药卫生—药品] O621.2[医药卫生—药学]