ArticleWorld journal of gastroenterology2007
Relationship of quantitative structure and pharmacokinetics in fluoroquinolone antibacterials.
Article in World journal of gastroenterology, 2007. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.
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1 citing paper in PubMed.
- Improving ADMET Prediction Accuracy for Candidate Drugs: Factors to Consider in QSPR Modeling Approaches.Current topics in medicinal chemistry · 2024Review
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3 authors.
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Abstract
aimTo study the relationship between quantitative structure and pharmacokinetics (QSPkR) of fluoroquinolone antibacterials.
methodsThe 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.
resultsA 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.
conclusionQSPkR models can contribute to some fluoroquinolones antibacterials with excellent pharmacokinetic properties.
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