Synthesis, Characterization, and Molecular Docking Studies of Zinc (II) Metal Complexes with Some New Biologically Active Schiff Base Ligands

Ten complexes of the type [ZnX2L21-5] (where X= Cl or Br and L = new Schiff base ligands derived by condensation of 2-carbaldehyde-8-hydroxyquinonile and 2-amino-6-methylpyridine or cyclopropylamine or 3-morpholine-4-ylpropylamine or 2-aminopyridine or homopiperonylamine) have been prepared and characterized by elemental analysis, molar conductivity, IR and XPS data i.e. X-ray photoelectron spectra. An octahedral geometry has been proposed for all these prepared[ZnX2L21-5] complexes. Using two protein receptors, the interaction between ligand and protein was investigated using molecular docking. The proteins 7LDW and 6HV0 displayed binding energies of -6.5 and -7.8 kcal/mol respectively, suggesting that they may find use in medicine. Further, pharmacological actives based on 8-hydroxyquinoline-2-carbaldehyde and homopiperonylamine may benefit from this study.