摘要
对 2 0个核苷酸类化合物 (d4T的衍生物 )进行了定量构效关系研究 ,建立QSAR方程。模型指出该类化合物的抗HIV 1活性与nM、lgP、(lgP) 2 及分子连接性指数6χvP 具有良好的相关性 ,其复相关系数R为 0 94。由方程可知 :6χvP 在抗HIV 1过程中比电子参数σ发挥更大的作用。
In this paper, quantitative structure-activity relationships (QSAR) of 20 compounds which belong to nucleoside analogue were studied by using the method of molecular connectivity index, and one equation of QSAR was established (R = 0.94). The model revealed that the anti-HIV-1 activity was significantly correlated with the nM, lg P, (lg P)2 and 6χPv. As known from the equation, the molecular connectivity index 6χPv played more important role than that of the electronic parameter σ.
出处
《北京化工大学学报（自然科学版）》
EI
CAS
CSCD
2001年第1期79-80,共2页
Journal of Beijing University of Chemical Technology(Natural Science Edition)
基金
北京化工大学青年教师科研基金
