CAJ | 학술논문

对20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、lg P、(lg P)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：6χvP在抗HIV-1过程中比电子参数σ发挥更大的作用。
대20개핵감산류화합물(d4T적연생물)진행료정량구효관계연구，건립QSAR방정。모형지출해류화합물적항HIV-1활성여nM、lg P、(lg P)2급분자련접성지수6χvP구유량호적상관성，기복상관계수R위0.94。유방정가지：6χvP재항HIV-1과정중비전자삼수σ발휘경대적작용。
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 6χvP. As known from the equation, the molecular connectivity index 6χvP played more important role than that of the electronic parameter σ.