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Journal of Biomedicine and Biotechnology
Volume 2011 (2011), Article ID 483869, 11 pages
http://dx.doi.org/10.1155/2011/483869
Research Article

Development of Novel In Silico Model to Predict Corneal Permeability for Congeneric Drugs: A QSPR Approach

1Department of Ocular Pharmacology and Pharmacy, Dr. R. P. Centre for Ophthalmic Sciences, All India Institute of Medical Sciences, New Delhi 110029, India
2Department of Pharmacology, All India Institute of Medical Sciences, New Delhi 110029, India
3Department of Ocular Microbiology, Dr. R. P. Centre for Ophthalmic Sciences, All India Institute of Medical Sciences, New Delhi 110029, India
4Department of Cornea and Refractive Surgery, Dr. R. P. Centre for Ophthalmic Sciences, All India Institute of Medical Sciences, New Delhi 110029, India
5Department of Paediatric Ophthalmology & Oculoplasty, Dr. R. P. Centre for Ophthalmic Sciences, All India Institute of Medical Sciences, New Delhi 110029, India

Received 28 May 2010; Revised 7 September 2010; Accepted 26 October 2010

Academic Editor: Ayman El-Kadi

Copyright © 2011 Charu Sharma et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Abstract

This study was undertaken to determine in vivo permeability coefficients for fluoroquinolones and to assess its correlation with the permeability derived using reported models in the literature. Further, the aim was to develop novel QSPR model to predict corneal permeability for fluoroquinolones and test its suitability on other training sets. The in vivo permeability coefficient was determined using cassette dosing (N-in-One) approach for nine fluoroquinolones (norfloxacin, ciprofloxacin, lomefloxacin, ofloxacin, levofloxacin, sparfloxacin, pefloxacin, gatifloxacin, and moxifloxacin) in rabbits. The correlation between corneal permeability derived using in vivo studies with that derived from reported models was determined. Novel QSPR-based model was developed using in vivo corneal permeability along with other molecular descriptors. The suitability of developed model was tested on -blockers (). The model showed better prediction of corneal permeability for fluoroquinolones as well as -blockers . The newly developed QSPR model based upon in vivo generated data was found suitable to predict corneal permeability for fluoroquinolones as well as other sets of compounds.