Computational Modeling of Polymeric Physicochemical Properties for Formulation Development of a Drug Containing Basic Functionality

J Pharm Sci. 2017 Nov;106(11):3337-3345. doi: 10.1016/j.xphs.2017.06.021. Epub 2017 Jul 5.

Abstract

In the present research, predictive models were developed by correlating polymeric properties with characteristics of a formulation containing a drug with basic heterocycle (glipizide). Glipizide tablets containing different polymers from 3 categories (immediate, moderate, and extended release) were prepared and evaluated. Dissolution kinetics indicated Korsmeyer-Peppas as the best-fit model, whereas transportability was influenced by release rate and hydrophobicity of the drug. Calculated polymeric descriptors were correlated with formulation properties for the development of predictive quantitative structure-property relationship models. Regression coefficients and subsequent validation of developed models indicated potential predictability of the model for formulation properties containing any drug with basic heterocycle. Such models could also help to decide the formulation composition for desired characteristics with saving of time and formulation cost.

Keywords: computational modeling; dissolution; physicochemical properties; quantitative structure-property relationship; transportability.

MeSH terms

  • Computer Simulation
  • Delayed-Action Preparations / chemistry*
  • Drug Compounding / methods*
  • Excipients / chemistry*
  • Glipizide / administration & dosage
  • Glipizide / chemistry*
  • Hypoglycemic Agents / administration & dosage
  • Hypoglycemic Agents / chemistry*
  • Kinetics
  • Models, Chemical
  • Polymers / chemistry*
  • Solubility
  • Tablets

Substances

  • Delayed-Action Preparations
  • Excipients
  • Hypoglycemic Agents
  • Polymers
  • Tablets
  • Glipizide