Synthesis, characterization, in silico studies and in vitro biological evaluation of isoniazid-hydrazone complexes

Isoniazid-hydrazone complexes (IHCs) were synthesized and thoroughly characterized by FT-IR, H-1 NMR and C-13 NMR spectroscopic techniques. The anti-in fl ammatory and antidiabetic activities were tested for the IHCs using protein denaturation methods and the a-amylase inhibitory method. The molecular modeling studies for IHCs were investigated and their molecular parameters were calculated using Density Functional Theory methods. The IHCs showed lower band gap and higher electrophilicity index values. Further, molecular docking studies were investigated against the a-amylase enzyme to compare the experimental results. The isoniazid hydrazone-salicylic acid complex (3c) showed fi ve hydrogen bonding interactions with amino acid residues of the alpha-amylase enzyme (1HNY). (c) 2020 Elsevier B.V. All rights reserved.