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Computer-Aided Discovery of New Solubility-Enhancing Drug Delivery System. | LitMetric

Computer-Aided Discovery of New Solubility-Enhancing Drug Delivery System.

Biomolecules

Department of Pharmacognosy, Faculty of Pharmacy, Poznań University of Medical Sciences, Święcickiego 4, 60-781 Poznań, Poland.

Published: June 2020

AI Article Synopsis

Article Abstract

The poor aqueous solubility of active pharmaceutical ingredients (APIs) places a limit on their therapeutic potential. Cyclodextrins (CDs) have been shown to improve the solubility of APIs, but the magnitude of the improvement depends on the structure of both the CDs and APIs. We have developed quantitative structure-property relationship (QSPR) models that predict the stability of the complexes formed by a popular poorly soluble antibiotic, cefuroxime axetil (CA) and different CDs. We applied this model to five CA-CD systems not included in the modeling set. Two out of three systems predicted to have poor stability and poor CA solubility, and both CA-CD systems predicted to have high stability and high CA solubility were confirmed experimentally. One of the CDs that significantly improved CA solubility, methyl-βCD, is described here for the first time, and we propose this CD as a novel promising excipient. Computational approaches and models developed and validated in this study could help accelerate the development of multifunctional CDs-based formulations.

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Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7356584PMC
http://dx.doi.org/10.3390/biom10060913DOI Listing

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