Mitigating punch sticking propensity of celecoxib by cocrystallization: An integrated computational and experimental approach

Chenguang Wang, Shubhajit Paul, David J. Sun, Sten O. Nilsson Lill, Changquan Calvin Sun

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

An L-proline cocrystal of celecoxib was identified based on a computational approach for predicting crystal mechanical properties in order to significantly reduce the punch sticking propensity of celecoxib. The reduced punch sticking propensity of this cocrystal was attributed to both reduced plasticity through deactivating slip planes and minimizing exposure of high electronegative functional groups to the punch tip during compression. This material-sparing and reliable approach of integrated computational and experimental investigation of punch sticking holds promise in crystal engineering of drugs for crystal forms suitable for developing tablet formulations.

Original languageEnglish (US)
Title of host publication2020 Virtual AIChE Annual Meeting
PublisherAmerican Institute of Chemical Engineers
Pages4217-4223
Number of pages7
ISBN (Electronic)9780816911141
DOIs
StatePublished - 2020
Externally publishedYes
Event2020 AIChE Annual Meeting - Virtual, Online
Duration: Nov 16 2020Nov 20 2020

Publication series

NameAIChE Annual Meeting, Conference Proceedings
Volume2020-November

Conference

Conference2020 AIChE Annual Meeting
CityVirtual, Online
Period11/16/2011/20/20

Bibliographical note

Publisher Copyright:
© 2020 American Chemical Society

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