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...
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| Autores principales: | , , , , , , , , , , , , , |
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| Formato: | article |
| Lenguaje: | EN |
| Publicado: |
Nature Portfolio
2021
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| Materias: | |
| Acceso en línea: | https://doaj.org/article/f993d3d26776456ebe0fc89bf8e4a5df |
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| Sumario: | 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 antagonizing properties as new leads for the development of CXCR4 inhibitors. |
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