Virtual Screening, DNA Strapping and Antimicrobial Investigation of Mixed Ligand Transition Metal Complexes

Abstract

To obtain the highest level of biological effectiveness, four transition metal viz., Cu(II), Zn(II), Co(II) and Ni(II) complexes viz. were synthesized using Schiff base obtained by the condensation reaction of o-phenylene diamine, 4-chlorobenzaldehyde and a co-ligand (malonic acid). Elemental analysis and other spectroscopic methods were used to identify them. All the synthesized metal(II) complexes have a square planar geometry, according to the physico-chemical analyses. The antibacterial properties of the ligand and its metal(II) complexes on various microorganisms were also studied. SWISS-ADME online freeware was used to screen these compounds for drug-like action and pharmacokinetic research. Furthermore, UV absorption analyses and viscosity titrations were employed to test the efficacy of the synthesised metal complexes as DNA nucleases, and the results are consistent with an intercalative binding mechanism. The outcomes of molecular docking research on the COVID-19 virus and cancer DNA are fascinating.