Abstract

Copper (II) and Nickel (II) Mixed-ligand Complexes Containing 1,10-phenanthroline and their Biological Evaluation

Author(s): K.N.Gita, V. Chandrasekaran and P. Akilan

A novel water-soluble vitamin B12 backbone Schiff base ligand containing two mixed ligand transition metal complexes Cu(II) and Ni (II)) were synthesized by template method. The synthesized two mixed ligand metal Complexes were characterized by IR, Mass and elementary analysis. The synthesized compounds were docked with Dengue NS3 protease-helicase bi-functional enzyme (PDB ID: 2VBC) and B-DNA (PDB ID: 1BNA) using Auto Dock tools version 1.5.6 and auto dock vina docking programs and Discovery studio software. The binding of the ligand and receptor in grid point value of x × y × z directions of 80 × 80 × 80and a grid space group value of 0.380 Å. The binding energy values of the Ni(II) and Co(II) complexes respectively -7.4 and -7.2 kcal mol−1towards NS3 protease-helicase. The binding energy values of the Ni(II) and Cu(II) complexes respectively -6.6 and -6.5 kcal mol−1towards B-DNA. These results shown as the synthesized compounds act as an Anti-Dengue and show greater binding affinity towards B-DNA.

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