New Piperazine Derivatives: Biologic and Spectroscopic Study

A new piperazine derivatives: 2,2¿-(piperazine-1,4-diyl)bis(N¿-((Z)-2,4-dihydroxybenzylidene)acetohydrazide), 2.2¿-(piperazine-1,4-diyl)bis (N¿-((Z)-2-hydroxy-4-methoxybenzylidene)acetohydrazide) and 2.2¿-(piperazine-1,4-diyl) bis N¿-((Z)-1-(2-hydroxynaphthalen-1-yl) ethylidene) aceto hydrazide) were synthesized. The characterization of all compounds was characterized by NMR, FT-IR, Mass spectral data and elemental analysis. 1H and 13C shielding tensors of all compounds were calculated with GIAO/DFT/B3LYP/6-31 G(d) methods in DMSO. Molecular electrostatic potential surface and frontier orbital analysis were also carried out. HOMO-LUMO energy gap was calculated which allowed the calculation of relative reactivity descriptors like chemical hardness, chemical inertness, chemical potential, nucleophilicity and electrophilicity index of all compounds. Molecular docking studies of compounds were performed for Lanosterol-14a-demethylase (CYP51) enzyme (PDB ID: 3JUS). The microbiological effect of all compounds were tested against five human pathogenic bacteria and three fungal by using microdilution and disc diffusion methods.