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Relationship of quantitative structure and pharmacokinetics in fluoroquinolone antibacterials

机译：氟喹诺酮类抗菌药物的定量结构与药代动力学的关系

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AIM: To study the relationship between quantitative structure and pharmacokinetics (QSPkR) of fluoroquinolone antibacterials. METHODS: The pharmacokinetic (PK) parameters of oral fluoroquinolones were collected from the literature. These pharmacokinetic data were averaged, 19 compounds were used as the training set, and 3 served as the test set. Genetic function approximation (GFA) module of Cerius~2 software was used in QSPkR analysis. RESULTS: A small volume and large polarizability and surface area of substituents at C-7 contribute to a large area under the curve (AUC) for fluoroquinolones. Large polarizability and small volume of substituents at N-1 contribute to a long half life elimination. CONCLUSION: QSPkR models can contribute to some fluoroquinolones antibacterials with excellent pharmacokinetic properties.
机译：目的：研究氟喹诺酮类抗菌药物的定量结构与药代动力学（QSPkR）之间的关系。方法：从文献中收集口服氟喹诺酮类药物的药代动力学（PK）参数。将这些药代动力学数据取平均值，将19种化合物用作训练集，将3种用作测试集。在QSPkR分析中使用了Cerius〜2软件的遗传函数逼近（GFA）模块。结果：C-7取代基的体积小，极化率大和表面积大，导致氟喹诺酮类化合物的曲线下面积（AUC）大。大的极化率和N-1处取代基的体积小有助于消除长的半衰期。结论：QSPkR模型可以促进某些氟喹诺酮类药物具有优异的药代动力学特性。

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