Development of novel in silico model to predict corneal permeability for congeneric drugs: a QSPR approach.
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...
| Publicado en: | Journal of Biomedicine & Biotechnology pp. 483869 - 483870 |
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| Autores principales: | , , , , , |
| Formato: | research Journal Article |
| Publicado: |
Wiley-Blackwell
2011
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| Acceso en línea: | Ver este registro en EBSCOhost |
| fields | @attributes: recordID: 1 pdfLink: plink: https://search.ebscohost.com/login.aspx?direct=true&db=ccm&AN=104531574&site=ehost-live header: @attributes: shortDbName: ccm uiTerm: 104531574 longDbName: CINAHL Complete uiTag: AN controlInfo: bkinfo: dissinfo: jinfo: jid: 11107243 137K jtl: Journal of Biomedicine & Biotechnology issn: 11107243 maglogo: N pubinfo: dt: 2011 pid: 480 pub: Wiley-Blackwell place: Malden, Massachusetts artinfo: ui: 104531574 104531574 2011456985 NLM21403901 PMC3043298 104531574 ppf: 483869 ppct: 1 formats: fmt: @attributes: type: P tig: atl: Development of novel in silico model to predict corneal permeability for congeneric drugs: a QSPR approach. aug: au: Sharma, Charu Velpandian, Thirumurthy Biswas, Nihar Ranjan Nayak, Niranjan Vajpayee, Rasik Bihari Ghose, Supriyo affil: Department of Ocular Pharmacology and Pharmacy, Dr. R. P. Centre for Ophthalmic Sciences, All India Institute of Medical Sciences, New Delhi 110029, India. sug: subj: Antibiotics Pharmacokinetics Cornea Metabolism Drugs, Generic Pharmacokinetics Antiinfective Agents, Quinolone Pharmacokinetics Algorithms Animals Antibiotics Drugs, Generic Antiinfective Agents, Quinolone Models, Biological Permeability Biochemical Phenomena Rabbits ab: 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 [beta]-blockers (n = 15). The model showed better prediction of corneal permeability for fluoroquinolones (r(2) > 0.9) as well as [beta]-blockers (r(2) > 0.6). 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. pubtype: Academic Journal doctype: research Journal Article ougenre: Article language: English refInfo: holdings: @attributes: islocal: N |
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