Abstract 06 V1 I2

Quantitative structure activity relationship studies have been conducted on a series (19 compounds) of long chain quaternary ammonium derivatives using Chem Office v 8.0 software. The best predictions have been obtained for antibacterial activity (r= 0.9, r2=0.91, Boots strapping r2=0.8). Both equations are validated by a test set of compounds and give satisfactory predictive r2 values of 0.9 respectively.

The equations selected emphasized the importance of Dipole, Non Vander Wall energy on biological activity i.e. Dipole moment, and Non VDW energy of molecule might be influencing the selective antibacterial activity.

Keywords: Long Chain Quaternary Ammonium Compounds, quantitative Structure Activity Relationship, soft antibacterial agent.