Investigating the effect of MSI-۹۹ antimicrobial peptide onMexAB-OprM efflux pump of Pseudomonas aeruginosa using moleculardocking

Background and Aim : MSI-۹۹ is a Magainin antimicrobial peptide analogue derived from theAfrican clawed frog (Xenopus laevis) skin secretions. This peptide contains ۲۳ amino acids andhas antibiotic-like activity against microorganisms using ionophore properties. The purpose of thisstudy is investigation the function of MSI-۹۹ peptide on MexAB-OprM efflux pump ofPseudomonas aeruginosa.Methods : Three-dimensional structure of MSI-۹۹ as ligand was modeled by I-TASSER serverand target protein (MexAB-OprM efflux pump) of Pseudomonas p.aeruginosa was collected fromProtein Data Bank according to ۶IOK (PDB ID). Finally, using Patchdock (ver. ۱.۳) the moleculardocking was studied. The clustering RMSD value was set to ۴Å.Results : Analysis of molecular docking indicates that MSI-۹۹ peptide has inhibitory potential tothe MexAB-OprM efflux pump and its binding energy is -۲۳.۷۶ kcal.mol-۱.Conclusion : According to our results, MSI-۹۹ peptide has inhibitory potential to efflux pump ofP.aeruginosa. Thus, it can be considered as an alternative inhibitor for the efflux pump inP.aeruginosa that is antbiotic resistance.

کلیدواژه ها:

MSI-۹۹ peptide ، Pseudomonas aeruginosa ، Efflux pump ، Molecular docking