HIV蛋白酶抑制剂吡喃酮类化合物的QSAR研究

被引:9
作者
李卫华
许旋
机构
[1] 华南师范大学化学系,华南师范大学化学系广东广州,广东广州
关键词
HIV; QSAR; 蛋白酶抑制剂; 吡喃酮类; AIDS;
D O I
10.16866/j.com.app.chem2002.03.029
中图分类号
R91 [药物基础科学];
学科分类号
摘要
用MNDO量化方法计算了16个吡喃酮类化合物的电子结构参数和疏水参数,探讨了药物物理化学参数与电子结构参数对抑制HIV蛋白酶的影响,得到一个线形关系显著的方程。结果表明,药物的疏水参数和分子中3个氧原于的净电荷之和是影响药物活性的主要因素。所得结果符合实验事实。
引用
收藏
页码:288 / 290
页数:3
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