Multiple Linear Regression Study of 2,4-Disubstituted 1,5- Benzodiazepine as Potential Antiinfectives

This paper describes 3d-qsar analysis and biological evaluation of 1,5- benzodiazepine analogues. benzodiazepine nucleus with its simple structure gives a good opportunity for further modification regarding an increase of its antimicrobial activity. we synthesized a series of benzodiazepine analogues from condensation of various chalcones and halo substituted o-phenelynene diamines. all compounds were assayed in vitro against, e. coli, p. aeruginosa, s. aureus. the models were generated on the vlife mds 3.5; selected models showed a correlation coefficient (r^2) above 0.9 with cross-validated correlation coefficient (q^2) above 0.8, respectively, for all the selected organisms. the 3d-qsar models generated were externally validated for all models using a test set of 6 molecules for which the predictive r^2 (r^2-pred) was found to be above 0.45. the results of 3d-qsar indicate that contours can be used to design some potent antibacterial agents.