posted on 2020-06-17, 21:06authored byChenguang Wang, Shubhajit Paul, David J. Sun, Sten O. Nilsson Lill, Changquan Calvin Sun
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.