Human substance P receptor binding mode of the antagonist drug aprepitant by NMR and crystallography

The FDA approved drug aprepitant is an antagonist of the Neurokinin 1 receptor (NK1R). Here the authors present aprepitant bound NK1R crystal structures and use NMR spectroscopy to gain further insights into the dynamics of aprepitant binding, which is of interest for further drug development.

Bibliographic Details
Main Authors: Shuanghong Chen, Mengjie Lu, Dongsheng Liu, Lingyun Yang, Cuiying Yi, Limin Ma, Hui Zhang, Qing Liu, Thomas M. Frimurer, Ming-Wei Wang, Thue W. Schwartz, Raymond C. Stevens, Beili Wu, Kurt Wüthrich, Qiang Zhao
Format: Article
Language:English
Published: Nature Portfolio 2019-02-01
Series:Nature Communications
Online Access:https://doi.org/10.1038/s41467-019-08568-5