| 取代苯甲醇和取代苯酚活性的分子拓扑研究 |
| |
| 引用本文： | 舒元梯.取代苯甲醇和取代苯酚活性的分子拓扑研究[J].西南民族学院学报(自然科学版),2005,31(2):180-182. |
| |
| 作者姓名： | 舒元梯 |
| |
| 作者单位： | 乐山师范学院环境与生命科学系 四川乐山 |
| |
| 基金项目： | 乐山师范学院科研项目. |
| |
| 摘 要： | 基于原子的核外价电子数、成键电子数、原子直接键连的成σ键的氢原子数目和最高主量子数,定义了一种原子点价公式,构建了分子连接性指数,研究了取代苯甲醇对黑曲霉幼虫抑制活性,取代苯酚对小鼠肝细胞色素P-450转化为P-420活性与分子连接性指数的相关性.结果表明,二阶项和三阶项分子连接性指数具有良好的结构选择性和活性相关性.
|
| 关 键 词： | 分子拓扑指数 生物活性 取代苯甲醇 取代酚 相关性 |
| 文章编号： | 1003-2843(2005)02-0180-03 |
| 修稿时间： | 2004年11月22 |
Molecular topological research on activity for substituted benzoic alcohols and substituted phenols |
| |
| SHU Yuan-ti.Molecular topological research on activity for substituted benzoic alcohols and substituted phenols[J].Journal of Southwest Nationalities College(Natural Science Edition),2005,31(2):180-182. |
| |
| Authors: | SHU Yuan-ti |
| |
| Abstract: | On the valence electron, the main quantum number of the outermost shell orbital in atom, bonding electron number and bonded hydrogen atomic number, new molecular topological index is developed for research on activity for substituted benzoic alcohols and substituted phenols in this paper. With this, the linear relationship between activity for substituted benzyl alcohols or substituted phenols and the molecular topological index is obtained. It is concluded that the indexes near good structure selectivity and creature activity. It can be extended to predict the activity of other substituted phenols and other substituted benzyl alcohols. |
| |
| Keywords: | molecular topoiogical index creature activity substitute benzoic alcohol substituted phenol correlativity |
| 本文献已被 CNKI 维普 等数据库收录！ |
