Peptides derived from CXCL8 based on in silico analysis inhibit CXCL8 interactions with its receptor CXCR1

@inproceedings{Jiang2015PeptidesDF,
  title={Peptides derived from CXCL8 based on in silico analysis inhibit CXCL8 interactions with its receptor CXCR1},
  author={S Jiang and Je-Wen Liou and Chun-Chun Chang and Yi Lin Chung and Lee-Fong Lin and Hao-Jen Hsu},
  booktitle={Scientific reports},
  year={2015}
}
Chemokine CXCL8 is crucial for regulation of inflammatory and immune responses via activating its cognate receptor CXCR1. In this study, molecular docking and binding free energy calculations were combined to predict the initial binding event of CXCL8 to CXCR1 for peptide drug design. The simulations reveal that in the initial binding, the N-loop of CXCL8 interacts with the N-terminus of CXCR1, which is dominated by electrostatic interactions. The derived peptides from the binding region of… CONTINUE READING
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