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

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

doi:10.1038/s41467-019-08568-5

Nature Communications (Feb 2019)

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

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

Affiliations

Shuanghong Chen: State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences
Mengjie Lu: State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences
Dongsheng Liu: iHuman Institute, Shanghai Tech University
Lingyun Yang: iHuman Institute, Shanghai Tech University
Cuiying Yi: State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences
Limin Ma: State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences
Hui Zhang: State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences
Qing Liu: CAS Key Laboratory of Receptor Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences
Thomas M. Frimurer: Novo Nordisk Foundation Center for Basic Metabolic Research, University of Copenhagen
Ming-Wei Wang: CAS Key Laboratory of Receptor Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences
Thue W. Schwartz: Novo Nordisk Foundation Center for Basic Metabolic Research, University of Copenhagen
Raymond C. Stevens: iHuman Institute, Shanghai Tech University
Beili Wu: CAS Key Laboratory of Receptor Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences
Kurt Wüthrich: iHuman Institute, Shanghai Tech University
Qiang Zhao: State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences

DOI: https://doi.org/10.1038/s41467-019-08568-5
Journal volume & issue: Vol. 10, no. 1
pp. 1 – 8

Abstract

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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.

Published in Nature Communications

ISSN: 2041-1723 (Online)
Publisher: Nature Portfolio
Country of publisher: United Kingdom
LCC subjects: Science
Website: https://www.nature.com/ncomms/

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