Objective: The research work aims synthesis of novel series of hydrazones, antioxidant screening, evaluate the
binding affinities, and in silico methods for the identification of possible drug targets of synthesized compounds.
Methods: This report briefly explains the synthesis of novel series of hydrazones was synthesized via. hydrazinolysis of
esters to obtain hydrazide, treated with aldehyde and acetophenone to get hydrazones. The spectral confirmed hydrazones
exhibited excellent to comparable anti-oxidant as compaired to the standard drugs Butylated hydroxytoluene (BHT) and
Ascorbic acid. Molecular docking on myeloperoxidase (MPO) demonstrated the ability of this scaffold to correctly
recognize the target and engage in significant bonded and non-bonded interactions with key residues therein.
Results and Discussion: In this study, we report an effectively synthesized compounds BK-35, BK-41, BK-26, BK-28 and
BK-39 showed the best DPPH radical scavenging activity. The docking results clearly showed the binding mode of
hydrazones into the active site of Myeloperoxidase (MPO). An in-silico results, no any of the synthesized compounds BK24 to BK-41 violated Lipinski’s rule of five (miLog P ≤ 5).
Conclusions: In vitro preliminary antioxidant screening results in support by in Silico binding affinity data of novel
hydrazones of levofloxacin related molecules BK-24 to BK-41 reported here have emerged as excellent antioxidant agents.
The inference derived from the in vitro antioxidant screening data and the quantitative insights derived from the per-residue
interaction analysis with MPO enzyme, are now being fruitfully utilized for site specific mutation around the nucleus to
identify selective and potent antioxidants.