Experimental and chemoinformatics evaluation of some physicochemical properties of excipients influencing release kinetics of the acidic drug ibuprofen. (November 2015)

• Record Type: Journal Article
• Authors: Gaikwad, Vinod L.; Bhatia, Manish S.; Singhvi, Indrajeet
• Is Part Of: Chemosphere. Volume 138(2015)
• Page Start: 494
• Page End: 502
• Publication Date: 2015-11
• Subjects: CCS croscarmellose sodium -- CMCS carboxymethyl cellulose sodium -- CPVP crospovidone -- EC10 ethocel 10 cp FP standard premium -- ERS100 eudragit RS100 -- FTIR Fourier transform infrared spectroscopy -- HAB hydrochloric acid buffer -- HPC hydroxypropyl cellulose -- IBU ibuprofen -- MDS molecular design suite -- ME15 methocel E15 LV premium -- MLR multiple linear regression -- MPPB monobasic potassium phosphate buffer -- PEG 6000 polyethylene glycol 6000 -- QSPR quantitative-structure property relationship -- SD standard deviation -- SSG sodium starch glycolate -- USP United States pharmacopoeia; Quantitative-structure property relationship -- Molecular modeling -- Polymer system -- Acidic drug release -- Transportability profile; Pollution -- Periodicals; Pollution -- Physiological effect -- Periodicals; Environmental sciences -- Periodicals; Atmospheric chemistry -- Periodicals; 551.511
• DOI: 10.1016/j.chemosphere.2015.07.007
• Languages: English
• ISSNs: 0045-6535

Abstract

Graphical abstract: Highlights: Molecular descriptors of polymeric structures were calculated. Formulation properties were correlated with calculated descriptors. This results into generation of QSPR models. Such models could be able predict the formulation properties and its composition. This could have pharmacoeconomic impact with saving of time and cost of formulation. Abstract: In the present study, ibuprofen, a nonsteroidal anti-inflammatory drug was used in the formulation of tablets using three polymers representing different categories (immediate, moderate and extended release). Prepared tablets were evaluated for different post-compression parameters including dissolution and transportability studies. In vitro dissolution studies indicated Korsmeyer–Peppas as a best fit model, however, the transport of the drug was found to be influenced by its rate of release. A total of 118 molecular descriptors representing physicochemical and topological properties of polymeric structure was calculated and correlated with formulation characteristics for model generation. Further, predictive quantitative-structure property relationship models were developed for correlating polymeric descriptors with formulation properties containing acidic drug (ibuprofen). Developed models exhibited good predictability for formulation characteristics as indicated by squared correlation coefficients (>0.9). Such models could have an ability to predict the formulation properties as well as composition for desired characteristics with saving of time, material and cost.