MicroED Structures of Fluticasone Furoate and Fluticasone Propionate Provide New Insights into Their Function.

ABSTRACT: The detailed understanding of the conformational pathway of fluticasone, a widely prescribed medicine for allergic rhinitis, asthma, and chronic obstructive pulmonary disease (COPD), from formulation to its protein-bound state, has been limited due to a lack of access to its high-resolution structures. The three-dimensional (3D) structure of fluticasone furoate 1 remains unpublished, and the deposited structure of fluticasone propionate 2 could be further refined due to refinement against new data. We applied microcrystal electron diffraction (MicroED) to determine the 3D structures of 1 and 2 in their solid states. The preferred geometries in solution were predicted by using density functional theory (DFT) calculations. A comparative analysis of the structures

SUBMITTER: Lin J 

PROVIDER: S-EPMC11887049 | biostudies-literature | 2025 Mar

REPOSITORIES: biostudies-literature