Quantitative Structure-Activity Relationships Using Comparative Molecular Field Analysis Studies on 2-(p-Substituted benzyl)-5-(substituted carbonylamino)benzoxazoles as Antibacterial Agents Against Staphylococcus aureus

Abstract

The 3D-QSAR studies using comparative molecular, field analysis (CoMFA) approach on a set of 2-(p-substituted benzyl)-5-(substituted carbonylamino)benzoxazoles as antibacterial agents against Staphylococcus aureus by considering the steric and electrostatic influences have been presented. The CoMFA analysis gave cross-validated r² value of 0.480 and non cross-validated r² = 0.950 with an optimized component of 4. The model deduced from this investigation provides underlying structural requirements and good predictive ability, which could aid the new antibacterial agents for Staphylococcus aureus prior to their synthesis.