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Prediction and Preparation of Coamorphous Phases of a Bislactam

Chambers, Luke I. and Musa, Osama M. and Steed, Jonathan W. (2022) 'Prediction and Preparation of Coamorphous Phases of a Bislactam.', Molecular pharmaceutics., 19 (7). pp. 2651-2661.

Abstract

The effectiveness of a partial least squares-discriminant analysis coamorphous prediction model was tested using coamorphous screening data for a promising coamorphous former, the dimer of N-vinyl(caprolactam) (bisVCap) with a range of active pharmaceutical ingredients. The prediction model predicted 71% of the systems correctly. An experimental coamorphous screen was performed with this coformer with 13 different active pharmaceutical ingredients, and the results were compared to the predictions from the model. A total of 85% of the systems were correctly predicted. Stability assessments of three coamorphous systems showed that the prediction model score did not strongly correlate with the stability of the coamorphous material. The model performed well with small-molecule coformers, such as bisVCap, despite the difference in structure and properties compared to the amino-acid-based model training set.

Item Type:Article
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Available under License - Creative Commons Attribution 4.0.
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Status:Peer-reviewed
Publisher Web site:https://doi.org/10.1021/acs.molpharmaceut.2c00357
Date accepted:13 June 2022
Date deposited:06 July 2022
Date of first online publication:22 June 2022
Date first made open access:06 July 2022

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