通过预测的物理化学性质筛选芳基脒基脲抗疟药。
The selection of arylamidinourea antimalarials by their predicted physicochemical properties.
作者信息
Cranfield R, Goodford P J, Norrington F E, Richards W H, Sheppey G C, Williams S G
出版信息
Br J Pharmacol. 1974 Sep;52(1):87-92. doi: 10.1111/j.1476-5381.1974.tb09690.x.
1 A small group of arylamidinoureas for which the predicted physicochemical properties were widely spaced and uncorrelated was selected for study.2 The antimalarial activity of each compound was measured against three species of plasmodium. Three corresponding regression equations were calculated relating the potency of each compound to its predicted physicochemical properties.3 The potency of further test compounds was forecast for each species, by using the corresponding regression equation. These forecasts were compared with the measured activity of the test compounds, and were better than would be expected by chance.4 It is suggested that only a few compounds in a series need be studied initially in order to derive regression equations with worthwhile predictive properties, if the compounds are selected according to appropriate criteria.
选择了一小类芳基脒基脲进行研究，这类化合物的预测物理化学性质差异很大且不相关。
测定了每种化合物对三种疟原虫的抗疟活性。计算了三个相应的回归方程，将每种化合物的效力与其预测的物理化学性质联系起来。
通过使用相应的回归方程，对每种疟原虫预测了进一步测试化合物的效力。将这些预测结果与测试化合物的实测活性进行比较，结果比随机预期的要好。
有人建议，如果根据适当的标准选择化合物，那么最初只需研究系列中的少数几种化合物，就能得出具有有价值预测特性的回归方程。
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