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

22 Sept 2021

Abstract excerpt

EPI-X4, a 16-mer fragment of albumin, is a specific endogenous antagonist and inverse agonist of the CXC-motif-chemokine receptor 4 (CXCR4) and thus a key regulator of CXCR4 function. Accordingly, activity-optimized synthetic derivatives of EPI-X4 are promising leads for the therapy of CXCR4-linked disorders such as cancer or inflammatory diseases. We investigated the binding of EPI-X4 to CXCR4, which so far...

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PMID: 34552197
DOI: 10.1038/s42003-021-02638-5

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