multiple linear regression study of 2,4-disubstituted 1,5-benzodiazepine as potential antiinfectives
نویسندگان
چکیده
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 (r2) above 0.9 with cross-validated correlation coefficient (q2) 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 r2 (r2-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.
منابع مشابه
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...
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عنوان ژورنال:
iranian journal of pharmaceutical sciencesجلد ۶، شماره ۳، صفحات ۱۹۹-۲۰۸
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