title: Relationship of quantitative structure and pharmacokinetics in fluoroquinolone antibacterials.
abstract: OBJECTIVE
  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.
  
  
  CONCLUSIONS
  QSPkR models can contribute to some fluoroquinolones antibacterials with excellent pharmacokinetic properties.
authors.affiliation: Department of Pharmaceutical Engineering, Tianjin University, Tianjin 300193, China.
authors.forename: Die
authors.initials: D
authors.lastname: Cheng
authors.forename: Wei-Ren
authors.initials: WR
authors.lastname: Xu
authors.forename: Chang-Xiao
authors.initials: CX
authors.lastname: Liu
mesh_terms: D000284:Administration, Oral; D000900:Anti-Bacterial Agents / Q000737:chemistry* / Q000493:pharmacokinetics* / Q000494:pharmacology; D003198:Computer Simulation; D024841:Fluoroquinolones / Q000008:administration & dosage / Q000737:chemistry* / Q000493:pharmacokinetics*; D016480:Helicobacter pylori / Q000187:drug effects; D008956:Models, Chemical; D008962:Models, Theoretical; D021281:Quantitative Structure-Activity Relationship; D012984:Software
chemical_list: D000900:Anti-Bacterial Agents; D024841:Fluoroquinolones