Modeling the Influence of Fatty Acid Incorporation on Mesophase Formation in Amphiphilic Therapeutic Delivery Systems

作者：Le By Tu C; Nhiem Tran; Mulet Xavier; Winkler David A^*

来源：Molecular Pharmaceutics, 2016, 13(3): 996-1003.

DOI：10.1021/acs.molpharmaceut.5b00848

• amphiphilic drug delivery system
• triggered release
• mesophases
• quantitative structure-property relationships modeling
• machine learning

Dispersed amphiphile-fatty acid systems are of great interest in drug delivery and gene therapies because of their potential for triggered release of their payload. The mesophase behavior of these systems is extremely complex and is affected by environmental factors such as drug loading, percentage and nature of incorporated fatty acids, temperature, pH, and so forth. It is important to study phase behavior of amphiphilic materials as the mesophases directly influence the release rate of the incorporated drugs. We describe a robust machine learning method for predicting the phase behavior of these systems. We have developed models for each mesophase that simultaneous and reliably model the effects of amphiphile and fatty acid structure, concentration, and temperature and that make accurate predictions of these mesophases for conditions not used to train the models.

• 出版日期2016-3