Copper and zinc metal chelates were synthesized with 4-mercaptoaniniline and nitrite ion using microwave irradiation which is one of the eco-friendly techniques with less reaction time high yield, no hazardous waste, and economic. The prepared metal chelates were structurally characterized based on microanalysis, metal estimation, conductance, nuclear magnetic resonance, electronic spectra, IR and Far-IR, EPR, and powder X-ray diffraction studies. Mononuclear tetragonal geometry of copper complex and square planar geometry of Zn(II) complex was confirmed by the microanalysis, metal estimation, and spectral studies. The neutral nature of the complexes was confirmed by the low molar conductance values. The crystal nature of zinc metal chelate was also confirmed by the XRD data. Antibacterial and antifungal activities of the 4-mercaptoaniline and metal chelates were carried out by the Agar disc diffusion method with the bacterial strains Bacillus, Streptococci, Shigella, and fungal strain Candida albicans. The results indicated that the complexes are more potent against bacterial and fungal strains. The pharmacokinetics studies were computed by using Swiss ADME software to predict the lipophilicity, pharmacokinetics, and drug likeliness of the complexes.

The Schiff base ligand, (E-N-((E)-3-phenylallylidene) aniline was prepared by from cinnamaldehyde with aniline via green route synthetic method. Reactions of the ligand with Mn(II) and Cu(II) precursors generate new complexes. The structures of the ligand and the new metal complexes were elucidated using various physicochemical measurements (FT-IR, NMR, Mass, UV-Vis, and elemental analyses). Further, the in vitro antibacterial and antifungal studies divulge that the Cu(II) complex exhibited potent activity over the ligand and Mn complex. In contrast the new manganese complex outperformed the nickel complex as well as the ligand in the cleavage of PUC57 DNA by the involvement of free radicals. Furthermore the in vitro cytotoxicity of the compounds against oral cancer cell line has been examined. The molecular docking studies revealed that the Mn(II) complex interact with SER-15 through hydrogen bonding and it is closely associated with Bax protein with three hydrogen bond interactions through the amino acids residues GLN-32 and ASP-33. Ultimately, the most frequently used parameters for the prediction of drug-likeness were calculated for the new Schiff base compounds.

Cobalt and nickel bio-active metal chelates were synthesized using p-aminobenzamide and thiocyanate ion in an equimolar ratio, and they were assessed for conductivity, UV-Visible, IR, and far-IR spectra as well as metal ion estimation identification. Based on their spectral and magnetic characteristics, the complexes were given octahedral geometry. The complexes are paramagnetic, monomeric, and non-electrolyte. With the help of the Agar Disc diffusion method using fluconazole as the reference drug, the antifungal activity of metal chelates through an in-vitro mechanism was compared with p-aminobenzamide against C. albicans. Metal(II) chelates' in-vitro DPPH free radical scavenging ability was tested and contrasted with that of standard ascorbic acid. The complexes appear to have moderate activity, according to the results of the computation of the IC50 values at four distinct concentrations.