Neglected tropical diseases, such as leishmaniasis, have significant impacts on affected societies. This study focused on the relationship between quinoxaline derivatives and the activity against Leishmania amazonensis. A new derivative was designed and synthesized, and a quantitative structure-activity relationship model was established, showing good predictive capacity.
Neglected tropical diseases, such as leishmaniasis, lead to serious limitations to the affected societies. In this work, a structure-activity relationship (SAR) study was developed with a series of quinoxaline derivatives, active against the promastigote forms of Leishmania amazonensis. As a result, a new quinoxaline derivative was designed and synthesized. In addition, a quantitative structure-activity relationship (QSAR) model was obtained [pIC(50) = - 1.51 - 0.96 (E-HOMO) + 0.02 (PSA); N = 17, R-2 = 0.980, R-Adj(2) = 0.977, s = 0.103, and LOO-cv-R-2 (Q(2)) = 0.971]. The activity of the new synthesized compound was estimated (pIC(50) = 5.88) and compared with the experimental result (pIC(50) = 5.70), which allowed to evaluate the good predictive capacity of the model.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据