*2.17. Molecular Docking Analysis*

The interaction of peptides **N-15-M**, **E-11-F**, **Q-14-R** and **A-17-E** with the Kelch domain of Keap1 was investigated trough docking simulation. The protein-peptide model was initially predicted using CASB-Dock [30], providing the peptide sequence and the chain X of the Crystal structure of Kelch domain of Keap1 bound to Neh2 domain of Nrf2 (2FLU), and refined with HADDOCK [31,32]. After 50 ns of relaxation with gromacs 2016.1 [33], the interactions between peptides and their target were evaluated using PISA [34] and UCSF Chimera [35].
