Synthesis, characterization, and molecular docking studies of fluoro and chlorophenylhydrazine schiff bases

Abstract

Six Schiff bases synthesized by condensation reaction of p-fluoro and chlorophenylhydrazines with some carbonyl compounds were reported in this work. Structures of the prepared compounds were elucidated by FT-IR, 1H- and 13C-NMR spectroscopy. FT-IR spectra exhibited characteristic transitions for all compounds. Also, their structures were proved by NMR spectroscopy, especially with the imine peak which is an indicator of the formation of Schiff bases. In addition, molecular docking studies of the Schiff bases were carried out on Alzheimer’s disease. The calculated docking scores and inhibition constants pointed out the probability of the usage of 2-chloro-5-nitrobenzaldehyde Schiff bases as a new drug candidate for Alzheimer’s disease after structural regulations.