Study of dipolar 1.3 cycloaddition reaction by DFT method, as well as study of antibacterial activity of two isomers 1.4 and 1.5 on two therapeutic targets E. coli and Helicobacter pylori, by molecular docking

A study was carried out on the 1.3 dipolar cycloaddition reaction between Phenylethyne and Benzyl (diazyn-1-ium-1-yl) azanide, using different theoretical approaches, to know precisely path, regioselectivity of reaction, as well transition state. We this by DFT method one hand, other hand we studied antibacterial activity two isomers 1.4 1.5 obtained from therapeutic targets E. coli Helicobacter pylori, Molecular docking.