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

Authors : Mohammed Aziz AJANA, Abdessadak OUMAYMA, Halima HAJJI, Yassıne KOUBI, Tahar LAKHLIFI, Mohammed BOUACHRINE

Pages : 46-55

Doi:10.33435/tcandtc.1020278

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Publication Date : 2021-12-15

Article Type : Research Paper

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