Ib-M6 Antimicrobial Peptide: Antibacterial Activity against Clinical Isolates of and Molecular Docking.

The Ib-M6 peptide has antibacterial activity against non-pathogenic K-12 strain. The first part of this study determines the antibacterial activity of Ib-M6 against fourteen pathogenic strains of O157:H7. Susceptibility assay showed that Ib-M6 had values of Minimum Inhibitory Concentration (MIC) lower than streptomycin, used as a reference antibiotic. Moreover, to predict the possible interaction between Ib-M6 and outer membrane components of , we used molecular docking simulations where FhuA protein and its complex with Lipopolysaccharide (LPS-FhuA) were used as targets of the peptide. FhuA/Ib-M6 complexes had energy values between -39.5 and -40.5 Rosetta Energy Units (REU) and only one hydrogen bond. In contrast, complexes between LPS-FhuA and Ib-M6 displayed energy values between -25.6 and -40.6 REU, and the presence of five possible hydrogen bonds. Hence, the antimicrobial activity of Ib-M6 peptide shown in the experimental assays could be caused by its interaction with the outer membrane of .