Cheng D, Xu WR, Liu CX. Relationship of quantitative structure and pharmacokinetics in fluoroquinolone antibacterials. World J Gastroenterol 2007; 13(17): 2496-2503
Corresponding Author of This Article
Chang-Xiao Liu, National Key Laboratory of Pharmacokinetics and Pharmacodynamics, Tianjin Institute of Pharmaceutical Research, 308 An-Shan West Road, Tianjin 300193, China. firstname.lastname@example.org
Article-Type of This Article
Open-Access Policy of This Article
This article is an open-access article which was selected by an in-house editor and fully peer-reviewed by external reviewers. It is distributed in accordance with the Creative Commons Attribution Non Commercial (CC BY-NC 4.0) license, which permits others to distribute, remix, adapt, build upon this work non-commercially, and license their derivative works on different terms, provided the original work is properly cited and the use is non-commercial. See: http://creativecommons.org/licenses/by-nc/4.0/
Relationship of quantitative structure and pharmacokinetics in fluoroquinolone antibacterials
Die Cheng, Wei-Ren Xu, Chang-Xiao Liu
Die Cheng, Department of Pharmaceutical Engineering, School of Chemical Engineering and Technology, Tianjin University, Tianjin 300072, China
Die Cheng, Wei-Ren Xu, Chang-Xiao Liu, National Key Laboratory of Pharmacokinetics and Pharmacodynamics, Tianjin Institute of Pharmaceutical Research, Tianjin 300193, China
Author contributions: All authors contributed equally to the work.
Supported by the National Basic Research Program of China, No. 2004BC518902
Correspondence to: Chang-Xiao Liu, National Key Laboratory of Pharmacokinetics and Pharmacodynamics, Tianjin Institute of Pharmaceutical Research, 308 An-Shan West Road, Tianjin 300193, China. email@example.com
Telephone: +86-22-23006863 Fax: +86-22-23006863
Received: January 10, 2007 Revised: January 14, 2007 Accepted: March 23, 2007 Published online: May 7, 2007
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 litera-ture. 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 Cerius2 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.