Effects of hydrostatic compression and kinetic vitrification on structural relaxation behaviors of amorphous drugs: how to predict them <i>via</i> simple theoretical models?

ABSTRACT: Amorphization is considered one of the most promising strategies for enhancing pharmaceuticals' aqueous solubility and oral bioavailability. However, amorphous systems are susceptible to recrystallization because of their disordered atomic structures and elevated free energies. To resolve this problem, one needs accurate information about molecular mobilities under various physical conditions. Unfortunately, it is difficult to investigate the relaxation processes of amorphous drugs beyond the uncompressed supercooled region. Hence, we aim to develop a simple but effective toolkit to predict pharmaceuticals' relaxation time and dynamic fragility at high pressures and low temperatures. First, we apply the elastically collective nonlinear Langevin equation theory to determine the impact of lo

SUBMITTER: Cuong TD 

PROVIDER: S-EPMC12272564 | biostudies-literature | 2025 Jul

REPOSITORIES: biostudies-literature