Dynamic changes in the structure of IL-8 upon ZINC binding. Plot illustrating the RMSD of the IL-8-ZINC complex over time. Representation of the RMSF of IL-8 post-binding. Evolution of the Rg for the IL-8-ZINC complex over time. Presentation of the SASA of the IL-8-ZINC complex across time. A visual depiction of the RDF for IL-8 after binding. These values have been derived from a 200 ns MD simulation timeframe. Each color signifies the value obtained for the free IL8-ZINC complex.

 
 
  Part of: Fakih TM, Hikmawati D, Sutedja E, Dwiyana RF, Atik N, Muchtaridi M (2024) In silico investigation of potential interleukin-8 (IL-8) and Cathelicidin (LL-37) inhibitors for rosacea treatment. Pharmacia 71: 1-12. https://doi.org/10.3897/pharmacia.71.e124099