Protonation of Nitrofurantoin and Furazidine Molecules in Acidic MediaMolecular Modelling Studies

The molecular modeling studies on protonation sites of Nitrofurantoin and Furazidine as well as on the stability of particular protonated forms were performed using quantum chemical MP₂ method. Performed calculations show that Furazidine oxygen and nitrogen atoms are better proton acceptors than in Nitrofurantoin, therefore the acidity of the media may differentiate Nitrofurantoin and Furazidine antibacterial activity.

Author(s): Somogi A*, Dabrowska A, Ziemba R and Pawinski T

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