Abstract

M. Seethalakshmi and T. Peter Amaladhas

DOI : http://dx.doi.org/10.13005/ojc/340330

A neoteric Schiff base ligand, 4-(4-chlorobenzylideneamino)-N-(4-(4-chlorobenzylideneamino) phenyl)benzamide (L1), and its Co(II), Ni(II) and Cu(II) complexes were synthesized.  The structure of ligand L1 and its complexes were confirmed by NMR, FT-IR, UV-Vis., EPR and EI- mass techniques. The synthesized complexes were docked with human DNA to poisomerase I (PDB: 1SC7) and Dengue NS3 protease-helicase (PDB ID: 2VBC) using Auto Dock vina and Discovery studio software. The binding which is enclosed in a box having number of grid points in x × y × z directions of 40 × 40 × 40 and a grid spacing of 0.35 Å. The binding energy values of the Co(II), Ni(II) and Cu(II) complexes were respectively -12.4, -13.7 and -13.0 kcal mol⁻¹ towards NS3 protease-helicase and -16.8, -10.4 and -15.1 kcal mol⁻¹ towards human DNA topoisomerase I. These results established that the synthesized compounds could act as a potential Anti-Dengue and Anticancer agent.

Anti-Dengue Drug; Docking; Human DNA Topoisomerase I; NS3 Protease-Helicase; Schiff Base Ligand

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