Synthesis, characterization, structural elucidation, molecular docking and antidiabetic studies of 1,10-phenanthroline based mononuclear Cu(II) and Zn(II) complexes

Three new mononuclear mixed ligand copper(II) and zinc(II) complexes were synthesized having general formulae [Cu (L-1) (L-2)(2)] (1), [Cu-2 (L-3) (L-2)(2)] (2), [Zn (L-3)(2) (L-2)] (3), where L-1 = 3, 4-dichloro phenylacetate, L-2 = 1, 10-phenathroline and L-3 = 2-bromophenylacetate. All the complexes were structurally characterized by FT-IR and single crystal X-ray diffraction analysis. Compound 1 is penta-coordinated where Cu(II) ion is surrounded by 3, 4-dichlorophenyacetate and two 1,10-phenanthroline moities. Compound 2 has hexa-coordinated Cu(II) surrounded by two 1,10-phenanthroline moieties and a 2-bromophenylacetate. Compound 3 is hexa-coordinated Zn(II) complex surrounded by 1,10-phenanthroline and two 2-bromophenylacetate moities. DNA binding mechanism of all complexes was examined by molecular docking studies. Based on molecular bonding results the binding energies for complexes 1-3 were found to be -5.86 kcal/mol, -5.81 kcal/mol and -5.85 kcal/mol, respectively. These stable complexes indicated spontaneous interaction ability with DNA which may have further biological potential. This has been supported by the in-vitro DNA-binding activity of the complexes as well using spectrophotometry. All the complexes were subjected for their anti-diabetic potential. All the complexes exhibited potent inhibitory capability against the alpha-glucosidase with IC50 values in the range of 2.63-6.19 mu M compared with the available marketed drug acarbose (IC50 = 873.34 +/- 1.67 mu M).

Automated summary

Three new mononuclear mixed ligand copper(II) and zinc(II) complexes were synthesized and characterized. The complexes showed stable interaction ability with DNA and exhibited potential biological activities. Additionally, these complexes showed potential anti-diabetic activity.