Computational modeling and experimental validation of the EPI-X4/CXCR4 complex allows rational design of small peptide antagonists

Computational modeling and experimental validation of the EPI-X4/CXCR4 complex allows rational design of small peptide antagonists

Combining molecular modeling and in vitro bioassays, Sokkar et al. provide an understanding of how EPI-X4, an endogenous peptide antagonist, interacts with its receptor CXCR4. With computational model, validated by mutagenesis studies, they design a series of derivatives with optimized receptor anta...

Full description

Bibliographic Details
Main Authors: Pandian Sokkar, Mirja Harms, Christina Stürzel, Andrea Gilg, Gönül Kizilsavas, Martina Raasholm, Nico Preising, Manfred Wagner, Frank Kirchhoff, Ludger Ständker, Gilbert Weidinger, Benjamin Mayer, Jan Münch, Elsa Sanchez-Garcia
Format: Article
Language:English
Published: Nature Publishing Group 2021-09-01
Series:Communications Biology
Online Access:https://doi.org/10.1038/s42003-021-02638-5

Internet

https://doi.org/10.1038/s42003-021-02638-5

Similar Items