The formation of mono stearyl sulphate self assembled monolayer on the corrosion resistance of anodized aluminium in the presence and absence of Nafcillin (NFN) antiobiotics as a green inhibitor have been studied. The corrosion resistance of the anodized aluminium surfaces could be improved by the combined action of SAM and NFN moieties in the presence of anionic surfactant. The performances of the self-assembled monolayer and antibiotic film were monitored through potentiodynamic polarization, A.C impedance analysis and prohesion exposure test. The calculations of quantum mechanical descriptors such as the localization of frontier molecular orbital’s, EHOMO, ELUMO, energy gap (ΔE) and dipole moment (µ), were used to validate the effective adsorption of the blended drugs on anodized surfaces. SEM studies confirmed the formation of protective layer of SAM +NFN on anodized metal. © 2017 University of Manchester and the authors.