Novel Butan-2-ylidene Benzohydrazides; Synthesis, Antimicrobial Evaluation and Molecular Docking Study

Author(s): Ezeokonkwo Mercy A., Onwosi Ekene L., Odimegwu Damian C., Okafor Sunday N., Eze Cosmas C., Amaechi Dominic C., Attah Solomon I., Okpareke Obinna C.

A variety of butan-2-ylidene benzohydrazides were synthesized via the reaction of benzohydrazides with 4,4,4-triflouro-1-phenyl-1,-3-butanedione/4,4,4 – triflouro -1, 2, - (2 – napthyl) -1, 3 – butanedione. Acetylation and benzoylation of butan-2-ylidene benzohydrazides gave the derivatives previously unknown. The compounds were characterized by spectral analyses (Mass spec., IR, and NMR), and were evaluated for their in vitro antimicrobial activity against some clinical isolates of interest. The in vitro screening revealed that some of the compounds possessed strong inhibitory potentials against the isolates with IZD in the range of 7-14 mm. Predicted ADMET ensured the druggability properties of the synthesized compounds. The molecular docking study indicated compounds7a and 9a to possess the highest docking store and established significant interactions in the active site of the target protein.

Butan-2-ylidene benzohydrazides, Acetylation, Benzoylation, Clinical isolates, In vitro, Drug-likeness

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