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Research Article

ECB. 2022; 11(3): 1-7


Noor H. Naser*, Sahar A. Hussein, Falah S.A. Suhail.


Background: Fluoroquinolones have great efficacy, broad spectrum of activity, used for treatment of several infections, due to miss use and uncontrolled use of antibacterial agents, lead to emergence of bacterial resistance. Therefore new fluoroquinolones derivatives were synthesized and their biological activities were studied according to their some computational properties. Aim: To predict the antibacterial activity of newly synthesized norfloxacin derivatives depending on their computational investigated properties. Material and method: Seven norfloxacin derivatives have been designed; their physical properties have been investigated using quantum chemistry computational methods. Results: There were six descriptions (one electronic, three physicochemical and two geometric) have highly compatible with Norfloxacin derivative activity, can be used to predicts of their activity by using QSAR equation of Norfloxacin derivatives.Conclusion: QSAR would lead to robust equation and predictive models are capable of making accurate and reliable calculations for a new Norfloxacinanalog

Key words: QSARs, DFT, Molecular Properties, GAMESS, Norfloxacin, Antibacterial resistant.

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