Synthesis, characterization, molecular docking and DNA cleavage study of transition metal complexes of o-vanillin and glycine derived Schiff base ligand

Publication date: 5 January 2020Source: Journal of Molecular Structure, Volume 1199Author(s): Anindita De, Hari Prakash Ray, Preeti Jain, Harsimrut Kaur, Nikita SinghAbstractSchiff base ligand (E)-2-(2-hydroxy-3-methoxybenzylideneamino)acetic acid) and its Mn(II), Fe(II),Co(III),Ni (II), Cu(II) and Zn(II) complexes were synthesized and characterized by elemental analysis, UV–Vis, IR, 1H NMR, EPR and X-ray crystallography techniques. The ligand and its metal complexes were evaluated for their DNA cleavage activity using E. Coli genome by agarose gel electrophoresis method. Molecular docking studies performed for the ligand and its complexes against two molecular targets-EGFR (1M17) and Tyrosine Kinase (1T46) revealed better binding affinity of all complexes with these targets in comparison to ligand. In addition, the docking results were observed to be in full agreement with the in vitro DNA cleavage assay suggesting the potential of synthesized metal complexes in biological applications.
Source: Journal of Molecular Structure - Category: Molecular Biology Source Type: research