POM as Efficient Tools to Predict and Improve Both Antibacterial and Antifungal Activity of Aryl Aldazines

Abstract

A general, simple and straight forward approach to symmetric substituted aldazines derivatives via condensation reaction of aromatic aldehydes and ammonia precursors has been demonstrated successfully under mild reaction condi tions. Their qualitative antimicrobial activities have been previously evaluated against 1 0 bacterial and 3 fungal species. We have reported the design and calculated molecular proper ties of some aldazines derivatives on the basis of hypothetical antibacterial pharmacophore s ite, structures which were designed to interact with both of Gram positive and Gram negati ve bacteria. A correlation of structure and activities relationship of these compounds with res pect to molecular modeling, Lipinski rule of five, drug likeness, toxicity profiles and other ph ysico-chemical properties of drugs are described and verified experimentally.