Bonding Ability of Isopthalic Acid-bis(thiosemicarbozone) to Manganese and Cobalt Metal Ions: Preparation, Spectral Investigation, Computational and in vitro Antipathogenic Screening

Abstract

Manganese and cobalt complexes have been designed and prepared with a tetradentate ligand i.e. isopthalic acid-bis(thiosemicarbozone) (IPBT), which bind to metal ions via donor atoms present in ligand. Different spectroscopic techniques viz. nuclear magnetic resonance, infra red, mass, electronic spin resonance and analytical studies have been used to determine the chemical composition of synthesized IPBT and its Mn(II) and Co(II) complexes. The spectroscopic data exposed that IPBT behaves in a tetradentate (N2S2) mode by having ability to bind with metal ions through N2S2 atoms. An octahedral structure for manganese and cobalt complexes has been suggested on the basis of spectroscopic as well as analytical studies. The ligand (IPBT) and its metal(II) complexes have been screened to determine their antipathogenic activity against some selective microorganisms S. aureus, P. aeruginosa, E. coli, A. niger, M. phasolina and P. glomerata. In this experimental work, well diffusion and poisoned food techniques have been introduced for screening purpose and as standard drugs neomycin and chlorothalonil have been used. Data for antipathogenic screening exposed that metal complexes exerted higher activity towards all examined microbes (bacteria and fungi) even than ligand.

In Vitro, In Silico, ADME and Theoretical Analysis of Mn(II) and Co(II) Complexes Derived from Methyl‐(Z)‐N′‐Carbamothioylcarbamohydrazonate Schiff Base Ligand

“…The β value was in the range of 0.42-0.46 and 0.88-0.89 for Mn(II) and Co(II) complexes, respectively, showing a significant covalent character of the complexes. [27] Table 3 shows the calculated values for various parameters (Dq, B, β, LFSE).…”