Nazeer Mohamed Nasar^1,, Michael Samuel^2,, Porkodi Jayaraman^3,, Freeda Selva Sheela^1, and Natarajan Raman^1,*,

¹Research Department of Chemistry, V.H.N.S.N. College (Autonomous) (Affiliated to Madurai Kamaraj University, Madurai), Virudhunagar-626001, India

²Department of Chemistry, P.S.R. Engineering College (Autonomous), Sivakasi-626140, India

³Post Graduate and Research Department of Chemistry, The Standard Fireworks Rajaratnam College for Women (Autonomous), Sivakasi-626123, India

*Corresponding author: Fax: +91 4562 281338; Tel: +91 92451 65958; E-mail: ramchem1964@gmail.com

Several transition metal complexes [ML(phth)], where M = Cu(II), Zn(II), Co(II) and Ni(II), X = phthalic acid and L = Schiff base generated from benzene-1,2,diamine and 4-chlorobenzaldehyde, were synthesized and characterized by IR, UV-Vis, ¹H NMR, ¹³C NMR and mass spectra. According to the physico-chemical studies, all the synthesized metal(II) complexes have a square planar geometry. The DNA nuclease activity of the synthesized metal complexes was investigated using UV absorption assay and viscosity, validating the intercalative mechanism of binding. Antimicrobial activity of the ligand and its metal(II) complexes on various microorganisms was also investigated. The optimal form and biological accessibility of the metal complexes were examined by the Gaussian 09W algorithm. These compounds were screened for drug-like activity and pharmacokinetic studies using the free SWISS ADME online software. The positive outcomes of molecular docking studies on the COVID-19 virus and cancer DNA are interesting.

Phthalic acid, Schiff base, 4-Chlorobenzaldehyde, Benzene-1,2-diamine, CT-DNA, DFT, Molecular docking.