<p><strong>Objective: </strong>The main objectives of this research work is the synthesis and characterization of biologically potential triazole ring containing the Schiff base legend and their transition metal complexes, followed by screenings of their antimicrobial and anthelmintic activity the results of antimicrobial activity were compared with docking scores.</p><p><strong>Methods: </strong>The<strong> </strong>coordination complexes of Co(II), Cu(II), Fe(III) and Zn(II) with Schiff base derived ligand 4-(1<em>H</em>-1,2,4-triazol-1-ylmethyl) aniline and substituted aldehydes have been synthesized. The complexes are characterized by elemental analysis, conductivity measurements, electronic, IR, and <sup>1</sup>H NMR spectral data. The synthesized compounds were also screened <em>In vitro</em> antimicrobial activity was carried out according to diffusion method by using agar and potato dextrose agar at 100, 500 and 700 mg/ml concentrations in DMF.<strong> </strong>HEX 8.0<strong> </strong>programmers were used to perform the docking experiments on <em>nucleotide </em>of <em>S. typhi </em><em>at</em> as ligand [PDB: 3B6O].</p><p><strong>Results: </strong>Schiff base ligand and their transition metal complexes were studied for antimicrobial activity as well as docking. The results of both studies concluded that 4a, 4c and 4d compounds are more active in minimum inhibition concentration (30μg/ml) against <em>Staphylococcus aureus</em> (<em>S. aureus), Salmonella typhi (S. typlei)</em> bacteria and <em>Penicillium chrysogenum</em> (<em>P. Crysogenum) </em>fungi. The compounds showed highest docking score (-257.47,-275.61 and-280.17 respectively) with the secondary structure of the alpha-amylase with a nucleotide from <em>s. typhi</em> in the solid model. In the study of anthelmintic activity among these three compounds, 4d compound exhibits more activity compared with the standard.</p><strong>Conclusion: </strong>The compounds 4a, 4c and 4d were found to be more promising pharmacological activity this observation may promote a further development of this triazole group of compounds which may lead to better pharmacological profile than standard drugs. <p> </p>
Synthesis, Spectral Characterization and Antimicrobial Activity of Some Transition Metal Complexes with new Schiff Base Ligand (BDABI)