QSAR of d4T nucleoside analogues against HIV-1 activity

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作者
Li, J. [1 ]
Xie, H. [1 ]
Zhang, J. [1 ]
Cao, W. [1 ]
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[1] Faculty of Science, Beijing Univ. of Chemical Technology, Beijing 100029, China
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摘要
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.
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页码:79 / 80
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