Efficient Screening of Coformers for Active Pharmaceutical Ingredient Cocrystallization.

ABSTRACT: Controlling the physical properties of solid forms for active pharmaceutical ingredients (APIs) through cocrystallization is an important part of drug product development. However, it is difficult to know a priori which coformers will form cocrystals with a given API, and the current state-of-the-art for cocrystal discovery involves an expensive, time-consuming, and, at the early stages of pharmaceutical development, API material-limited experimental screen. We propose a systematic, high-throughput computational approach primarily aimed at identifying API/coformer pairs that are unlikely to lead to experimentally observable cocrystals and can therefore be eliminated with only a brief experimental check, from any experimental investigation. On the basis of a well-established crystal

SUBMITTER: Sugden IJ 

PROVIDER: S-EPMC9337750 | biostudies-literature | 2022 Jul

REPOSITORIES: biostudies-literature