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Updated: Aug 9, 2026

Formulation of Diblock Polymeric Nanoparticles through Nanoprecipitation Technique
Published on: September 20, 2011
Multiscale modeling of drug-polymer nanoparticle assembly identifies parameters influencing drug encapsulation
R Mackenzie, J Booth1, C Alexander
1Pharmaceutical Development, AstraZeneca , Macclesfield SK10 2NA, United Kingdom.
Abstract:
Using a multiscale (dual resolution) approach combining an atomistic (GROMOS96) and coarse-grain (MARTINI) force field, we have been able to simulate the process of drug-polymer nanoparticle assembly by nanoprecipitation from mixed solvents. Here, we present the development and application of this method to the interaction of three poly(glycerol adipate) polymer variants with the anticancer drug dexamethasone phosphate. Differences in encapsulation efficiency and drug loading between the polymers are in agreement with the experimental trend. Reference atomistic simulations at key points along the predicted aggregation pathway support the accuracy of the much more computationally efficient multiscale methodology.
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