On the spacer group effect on anti-Escherichia Coli activity of cationic gemini surfactants using molecular connectivity indices and atomic charges

Abstract

The molecular connectivity indices were used to investigate the effect of the spacer group structure on the value of minimum inhibitory concentration of bis-quaternary ammonium bromide salts. QSAR model obtained allows to examine the influence of branching, multiple bonds, and heteroatoms of the spacer group on minimum inhibitory concentration value. The effect of spacer’s branches and heteroatoms on anti – Escherichia coli activity of cationic gemini surfactants was also investigated using the atomic charges. This study leads to some significant conclusions regarding the effect of the spacer group structure on antibacterial activity of cationic gemini surfactants against Escherichia coli. The general conclusion is that a small modification of the straight spacer chain structure can give gemini surfactant with of excellent activity against such resistant bacterium as Escherichia coli.