Design, Synthesis and Antibacterial Activities of New Azo-compounds: An Experimental and a Computational Approach

E-ISSN： 1875-628x|14|10|1145-1154

ISSN： 1570-1808

Source： Letters in Drug Design & Discovery, Vol.14, Iss.10, 2017-09, pp. : 1145-1154

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Abstract

Introduction: Azo-compounds, with the general formula R-N=N-R#039; (where R and R#039; can beeither aryl or alkyl groups), constitute an important class of organic dyes. Over the past decades, thesecompounds have attained increasing attention of the scientific community because of their immensebiological as well as industrial applications.

Methodology: A series of new azo-compounds was prepared starting from 4-aminophenol and 4-methoxyaniline under standard conditions. The synthesized compounds were investigated for theirpotential as antibacterial agents. The bacterial strains used were Escherichia coli, Streptococcuspyrogenes, Shigellasonnei, Neisseria gonorrhoeae and Staphylococcus aureus.

Results and Discussion: The structures of newly synthesized compounds were established by usualspectroscopic techniques such as UV-Vis, FTIR, Mass Spectrometry and NMR spectroscopy. Theseresults were further supported by molecular docking studies in order to confirm the binding interaction ofthe compounds with bacterial proteins. Furthermore, these compounds were also investigated by densityfunctional theory calculations. The calculated band gap (E gap) of the targeted library was found betweenthe ranges of 0.12307-13665 eV.

Conclusion: In summary, we have synthesized and characterized an interesting series of azo-compoundswhich have potent anti-bacterial activities against several bacterial species. The experimental results werefurther supported by molecular docking analysis and density functional theory calculations.